ethyl 3-phenyl-2H-azirine-2-carboxylate
TL;DR: ethyl 3-phenyl-2H-azirine-2-carboxylate (CAS 23893-63-2) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-phenyl-2H-azirine-2-carboxylate
Also Known As: ethyl 3-phenyl-2H-azirine-2-carboxylate, Ethyl 3-phenyl-2H-azirene-2-carboxylate, Ethyl 3-phenyl-2H-azirene-2-carboxylate #, 3-Phenyl-2H-azirine-2-carboxylicacidethylester, 2H-Azirine-2-carboxylic acid, 3-phenyl-, ethyl ester
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 23893-63-2 |
|---|---|
| SMILES | CCOC(=O)C1C(=N1)C2=CC=CC=C2 |
| InChIKey | SEEMGHDWHNCWKZ-UHFFFAOYSA-N |
Product Overview
ethyl 3-phenyl-2H-azirine-2-carboxylate (CAS 23893-63-2), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: ethyl 3-phenyl-2H-azirine-2-carboxylate.
Chemical Property Profile of ethyl 3-phenyl-2H-azirine-2-carboxylate
Property Insights of ethyl 3-phenyl-2H-azirine-2-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-phenyl-2H-azirine-2-carboxylate. With a topological polar surface area (TPSA) of 38.7 Ų, ethyl 3-phenyl-2H-azirine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-phenyl-2H-azirine-2-carboxylate 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 ethyl 3-phenyl-2H-azirine-2-carboxylate?
The CAS number of ethyl 3-phenyl-2H-azirine-2-carboxylate is 23893-63-2.
What is the molecular formula of ethyl 3-phenyl-2H-azirine-2-carboxylate?
The molecular formula of ethyl 3-phenyl-2H-azirine-2-carboxylate is C11H11NO2.
What is the molecular weight of ethyl 3-phenyl-2H-azirine-2-carboxylate?
The molecular weight of ethyl 3-phenyl-2H-azirine-2-carboxylate is 189.08 g/mol.
Where can I buy ethyl 3-phenyl-2H-azirine-2-carboxylate?
You can request a quote for ethyl 3-phenyl-2H-azirine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-phenyl-2H-azirine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-phenyl-2H-azirine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.