Carbanilic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
TL;DR: Carbanilic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride (CAS 60529-86-4) is a chemical compound with molecular formula C15H23ClN2O2 and molecular weight 298.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(azepan-1-yl)ethyl N-phenylcarbamate;hydrochloride
Also Known As: 1H-Azepine-1-ethanol, hexahydro-, carbanilate, hydrochloride, Carbanilic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride, 2-(Hexahydro-1H-azepin-1-yl)ethyl carbanilate hydrochloride, 1H-Azepine-1-ethanol, hexahydro-, phenylcarbamate (ester), monohydrochloride, 2-(azepan-1-yl)ethyl N-phenylcarbamate hydrochloride
| Molecular Formula | C15H23ClN2O2 |
|---|---|
| Molecular Weight | 298.14 g/mol |
| LogP | 3.5329 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.1448 |
| Heavy Atoms | 20 |
| Complexity | 378.71973 |
Chemical Identifiers
| CAS Number | 60529-86-4 |
|---|---|
| SMILES | C1CCCN(CC1)CCOC(=O)NC2=CC=CC=C2.Cl |
Product Overview
Carbanilic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride (CAS 60529-86-4), with molecular formula C15H23ClN2O2 and molecular weight 298.14 g/mol. IUPAC: 2-(azepan-1-yl)ethyl N-phenylcarbamate;hydrochloride.
Chemical Property Profile of Carbanilic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
Property Insights of Carbanilic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride
The XLogP value of 3.5329 indicates that Carbanilic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, Carbanilic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbanilic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride has 1 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 Carbanilic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride?
The CAS number of Carbanilic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride is 60529-86-4.
What is the molecular formula of Carbanilic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride?
The molecular formula of Carbanilic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride is C15H23ClN2O2.
What is the molecular weight of Carbanilic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride?
The molecular weight of Carbanilic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride is 298.14 g/mol.
Where can I buy Carbanilic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride?
You can request a quote for Carbanilic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbanilic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Carbanilic acid, 2-(hexahydro-1H-azepin-1-yl)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.