1H-Azepine-1-carboxylic acid, hexahydro-, ethyl ester
TL;DR: 1H-Azepine-1-carboxylic acid, hexahydro-, ethyl ester (CAS 27031-51-2) is a chemical compound with molecular formula C9H17NO2 and molecular weight 171.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl azepane-1-carboxylate
Also Known As: Hexamethylene-urethane, ethyl azepane-1-carboxylate, Hexamethyleneurethane, ethyl 1-azepanecarboxylate, ethylazepane-1-carboxylate
| Molecular Formula | C9H17NO2 |
|---|---|
| Molecular Weight | 171.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.12593 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 27031-51-2 |
|---|---|
| SMILES | CCOC(=O)N1CCCCCC1 |
| InChIKey | QTALNDLQMOUACM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Azepine-1-carboxylic acid, hexahydro-, ethyl ester (CAS 27031-51-2), with molecular formula C9H17NO2 and molecular weight 171.13 g/mol. IUPAC: ethyl azepane-1-carboxylate.
Chemical Property Profile of 1H-Azepine-1-carboxylic acid, hexahydro-, ethyl ester
Property Insights of 1H-Azepine-1-carboxylic acid, hexahydro-, ethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Azepine-1-carboxylic acid, hexahydro-, ethyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, 1H-Azepine-1-carboxylic acid, hexahydro-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Azepine-1-carboxylic acid, hexahydro-, ethyl ester has 0 hydrogen bond donor(s) and 2 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 1H-Azepine-1-carboxylic acid, hexahydro-, ethyl ester?
The CAS number of 1H-Azepine-1-carboxylic acid, hexahydro-, ethyl ester is 27031-51-2.
What is the molecular formula of 1H-Azepine-1-carboxylic acid, hexahydro-, ethyl ester?
The molecular formula of 1H-Azepine-1-carboxylic acid, hexahydro-, ethyl ester is C9H17NO2.
What is the molecular weight of 1H-Azepine-1-carboxylic acid, hexahydro-, ethyl ester?
The molecular weight of 1H-Azepine-1-carboxylic acid, hexahydro-, ethyl ester is 171.13 g/mol.
Where can I buy 1H-Azepine-1-carboxylic acid, hexahydro-, ethyl ester?
You can request a quote for 1H-Azepine-1-carboxylic acid, hexahydro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Azepine-1-carboxylic acid, hexahydro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Azepine-1-carboxylic acid, hexahydro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.