2H-Azirine-2-carboxylic acid, 3-phenyl-, methyl ester
TL;DR: 2H-Azirine-2-carboxylic acid, 3-phenyl-, methyl ester (CAS 18709-45-0) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-phenyl-2H-azirine-2-carboxylate
Also Known As: methyl 3-phenyl-2H-azirine-2-carboxylate, 2H-Azirine-2-carboxylic acid, 3-phenyl-, methyl ester, Methyl 3-phenyl-2H-azirene-2-carboxylate, methyl3-phenyl-2H-azirine-2-carboxylate, Methyl 3-phenyl-2H-azirene-2-carboxylate #
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 18709-45-0 |
|---|---|
| SMILES | COC(=O)C1C(=N1)C2=CC=CC=C2 |
| InChIKey | ZFHLVGLOJCNOPP-UHFFFAOYSA-N |
Product Overview
2H-Azirine-2-carboxylic acid, 3-phenyl-, methyl ester (CAS 18709-45-0), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: methyl 3-phenyl-2H-azirine-2-carboxylate.
Chemical Property Profile of 2H-Azirine-2-carboxylic acid, 3-phenyl-, methyl ester
Property Insights of 2H-Azirine-2-carboxylic acid, 3-phenyl-, methyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Azirine-2-carboxylic acid, 3-phenyl-, methyl ester. With a topological polar surface area (TPSA) of 38.7 Ų, 2H-Azirine-2-carboxylic acid, 3-phenyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Azirine-2-carboxylic acid, 3-phenyl-, methyl ester has 0 hydrogen bond donor(s) and 3 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 2H-Azirine-2-carboxylic acid, 3-phenyl-, methyl ester?
The CAS number of 2H-Azirine-2-carboxylic acid, 3-phenyl-, methyl ester is 18709-45-0.
What is the molecular formula of 2H-Azirine-2-carboxylic acid, 3-phenyl-, methyl ester?
The molecular formula of 2H-Azirine-2-carboxylic acid, 3-phenyl-, methyl ester is C10H9NO2.
What is the molecular weight of 2H-Azirine-2-carboxylic acid, 3-phenyl-, methyl ester?
The molecular weight of 2H-Azirine-2-carboxylic acid, 3-phenyl-, methyl ester is 175.06 g/mol.
Where can I buy 2H-Azirine-2-carboxylic acid, 3-phenyl-, methyl ester?
You can request a quote for 2H-Azirine-2-carboxylic acid, 3-phenyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Azirine-2-carboxylic acid, 3-phenyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2H-Azirine-2-carboxylic acid, 3-phenyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.