Benzoic acid, 4-azido-, methyl ester
TL;DR: Benzoic acid, 4-azido-, methyl ester (CAS 20442-96-0) is a chemical compound with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-azidobenzoate
Also Known As: methyl 4-azidobenzoate, Benzoic acid, 4-azido-, methyl ester, Methyl 4-azidobenzoate solution, 4-Azidobenzoic acid methyl ester, Methyl 4-azidobenzoate solution, ~0.5 M in tert-butyl methyl ether, >=95% (HPLC)
| Molecular Formula | C8H7N3O2 |
|---|---|
| Molecular Weight | 177.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 40.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 177.05383 |
| Heavy Atoms | 13 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 20442-96-0 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N=[N+]=[N-] |
| InChIKey | RULRGDSQDQHZOK-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-azido-, methyl ester (CAS 20442-96-0), with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol. IUPAC: methyl 4-azidobenzoate.
Chemical Property Profile of Benzoic acid, 4-azido-, methyl ester
Property Insights of Benzoic acid, 4-azido-, methyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-azido-, methyl ester. With a topological polar surface area (TPSA) of 40.7 Ų, Benzoic acid, 4-azido-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-azido-, methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-azido-, methyl ester?
The CAS number of Benzoic acid, 4-azido-, methyl ester is 20442-96-0.
What is the molecular formula of Benzoic acid, 4-azido-, methyl ester?
The molecular formula of Benzoic acid, 4-azido-, methyl ester is C8H7N3O2.
What is the molecular weight of Benzoic acid, 4-azido-, methyl ester?
The molecular weight of Benzoic acid, 4-azido-, methyl ester is 177.05 g/mol.
Where can I buy Benzoic acid, 4-azido-, methyl ester?
You can request a quote for Benzoic acid, 4-azido-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-azido-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-azido-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.