CAS 143722-25-2|2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenylboronic acid|2-2-(Triphenylmethyl)-2H-tetrazol-5-ylphenylboronic acid|{2-[1-(triphenylmethyl)-1H-1,2,3,4-tetrazol-5-yl]phenyl}boron...

General Information

Structure

Molecular Formula

C₂₆H₂₁BN₄O₂

Molecular Mass

432.28154

Exact Mass

432.17575633

Charge

InChI

InChI=1S/C26H21BN4O2/c32-27(33)24-19-11-10-18-23(24)25-28-29-30-31(25)26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19,32-33H

InChIKey

LCOAZIDDOCSTQX-UHFFFAOYSA-N

Canonic Smiles

OB(c1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1)O

Isomeric Smiles

n1nnn(c1c1ccccc1B(O)O)C(c1ccccc1)(c1ccccc1)c1ccccc1

Calculated Properties

JChem

Acid pKa

8.368339

H Acceptors

H Donor

LogD (pH = 5.5)

6.1698155

LogD (pH = 7.4)

6.126255

Log P

6.1704

Molar Refractivity

148.2319

Polarizability

49.43568

Polar Surface Area

84.06

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenylboronic acid

Synonyms

2-2-(Triphenylmethyl)-2H-tetrazol-5-ylphenylboronic acid[2-[2-(Triphenylmethyl)-2H-tetrazol-5-yl]phenyl]boronic AcidB-[2-[2-(Triphenylmethyl)-2H-tetrazol-5-yl]phenyl]boronic Acid2-(2-Trityl-2H-tetrazol-5-yl)phenylboronic Acid

IUPAC name

{2-[1-(triphenylmethyl)-1H-1,2,3,4-tetrazol-5-yl]phenyl}boronic acid

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties

Safety Information

Product Information

95%

Download link

Physical Property

Methanol

DMSO

146-149°C (dec.)

White Solid

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

TRC

T890000

An intermediate in the synthesis of Losartan

Molecule Details

References

PubChem Literature

From Data Sources

• Almansa, C., et al.: J. Med. Chem., 40, 547 (1997)

• Cappelli, A., et al.: J. Med. Chem., 51, 2137 (1997)

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

IUPAC Traditional name

2-[1-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenylboronic acid

Synonyms

IUPAC name

{2-[1-(triphenylmethyl)-1H-1,2,3,4-tetrazol-5-yl]phenyl}boronic acid

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Molecule Details

T890000

An intermediate in the synthesis of Losartan

References

PubChem Literature

From Data Sources

• Almansa, C., et al.: J. Med. Chem., 40, 547 (1997)

• Cappelli, A., et al.: J. Med. Chem., 51, 2137 (1997)

Bioactivity

PubChem BioAssay

Properties

Safety Information

Product Information

95%

Download link

Physical Property

Methanol

DMSO

146-149°C (dec.)

White Solid

Molecule

ID:53286