Ethyl 4-chlorobenzoylcarbamate
TL;DR: Ethyl 4-chlorobenzoylcarbamate (CAS 13733-20-5) is a chemical compound with molecular formula C10H10ClNO3 and molecular weight 227.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(4-chlorobenzoyl)carbamate
Also Known As: ethyl 4-chlorobenzoylcarbamate, ethyl N-(4-chlorobenzoyl)carbamate, SDCCGSBI-0660214.P001, 4-Chlorobenzoylcarbamic acid ethyl ester, (4-Chlorobenzoyl)carbamic acid ethyl ester
| Molecular Formula | C10H10ClNO3 |
|---|---|
| Molecular Weight | 227.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 227.03493 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 13733-20-5 |
|---|---|
| SMILES | CCOC(=O)NC(=O)C1=CC=C(C=C1)Cl |
| InChIKey | DREWEXLXJIRFQG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-chlorobenzoylcarbamate (CAS 13733-20-5), with molecular formula C10H10ClNO3 and molecular weight 227.03 g/mol. IUPAC: ethyl N-(4-chlorobenzoyl)carbamate.
Chemical Property Profile of Ethyl 4-chlorobenzoylcarbamate
Property Insights of Ethyl 4-chlorobenzoylcarbamate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chlorobenzoylcarbamate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 4-chlorobenzoylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-chlorobenzoylcarbamate 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 Ethyl 4-chlorobenzoylcarbamate?
The CAS number of Ethyl 4-chlorobenzoylcarbamate is 13733-20-5.
What is the molecular formula of Ethyl 4-chlorobenzoylcarbamate?
The molecular formula of Ethyl 4-chlorobenzoylcarbamate is C10H10ClNO3.
What is the molecular weight of Ethyl 4-chlorobenzoylcarbamate?
The molecular weight of Ethyl 4-chlorobenzoylcarbamate is 227.03 g/mol.
Where can I buy Ethyl 4-chlorobenzoylcarbamate?
You can request a quote for Ethyl 4-chlorobenzoylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chlorobenzoylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chlorobenzoylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.