ethyl N-(5-chloro-2-hydroxyphenyl)carbamate
TL;DR: ethyl N-(5-chloro-2-hydroxyphenyl)carbamate (CAS 42953-11-7) is a chemical compound with molecular formula C9H10ClNO3 and molecular weight 215.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(5-chloro-2-hydroxyphenyl)carbamate
Also Known As: (5-Chlor-2-oxy-phenyl)-urethan, ethyl(5-chloro-2-hydroxyphenyl)carbamate, (5-Chloro-2-hydroxy-phenyl)-carbamic acid ethyl ester, ethyl N-(5-chloro-2-hydroxyphenyl)carbamate, Ethyl hydrogen (5-chloro-2-hydroxyphenyl)carbonimidate
| Molecular Formula | C9H10ClNO3 |
|---|---|
| Molecular Weight | 215.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 58.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.03493 |
| Heavy Atoms | 14 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 42953-11-7 |
|---|---|
| SMILES | CCOC(=O)NC1=C(C=CC(=C1)Cl)O |
| InChIKey | KOYKJLUPGYMUHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl N-(5-chloro-2-hydroxyphenyl)carbamate (CAS 42953-11-7), with molecular formula C9H10ClNO3 and molecular weight 215.03 g/mol. IUPAC: ethyl N-(5-chloro-2-hydroxyphenyl)carbamate.
Chemical Property Profile of ethyl N-(5-chloro-2-hydroxyphenyl)carbamate
Property Insights of ethyl N-(5-chloro-2-hydroxyphenyl)carbamate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(5-chloro-2-hydroxyphenyl)carbamate. With a topological polar surface area (TPSA) of 58.6 Ų, ethyl N-(5-chloro-2-hydroxyphenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl N-(5-chloro-2-hydroxyphenyl)carbamate has 2 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 N-(5-chloro-2-hydroxyphenyl)carbamate?
The CAS number of ethyl N-(5-chloro-2-hydroxyphenyl)carbamate is 42953-11-7.
What is the molecular formula of ethyl N-(5-chloro-2-hydroxyphenyl)carbamate?
The molecular formula of ethyl N-(5-chloro-2-hydroxyphenyl)carbamate is C9H10ClNO3.
What is the molecular weight of ethyl N-(5-chloro-2-hydroxyphenyl)carbamate?
The molecular weight of ethyl N-(5-chloro-2-hydroxyphenyl)carbamate is 215.03 g/mol.
Where can I buy ethyl N-(5-chloro-2-hydroxyphenyl)carbamate?
You can request a quote for ethyl N-(5-chloro-2-hydroxyphenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(5-chloro-2-hydroxyphenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(5-chloro-2-hydroxyphenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.