2-Chloroethyl (p-ethoxycarbonylphenyl)carbamate
TL;DR: 2-Chloroethyl (p-ethoxycarbonylphenyl)carbamate (CAS 208709-20-0) is a chemical compound with molecular formula C12H14ClNO4 and molecular weight 271.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-chloroethoxycarbonylamino)benzoate
Also Known As: 2-Chloroethyl (p-ethoxycarbonylphenyl)carbamate, ethyl 4-(2-chloroethoxycarbonylamino)benzoate, Ethyl p-[(2-chloroethoxy)carbonylamino)benzoate, 4-(2-chloro-ethoxycarbonylamino)-benzoic acid ethyl ester, Ethyl 4-([(2-chloroethoxy)carbonyl]amino)benzoate #
| Molecular Formula | C12H14ClNO4 |
|---|---|
| Molecular Weight | 271.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 271.06113 |
| Heavy Atoms | 18 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 208709-20-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)OCCCl |
| InChIKey | WXRWZKABUUNOOJ-UHFFFAOYSA-N |
Product Overview
2-Chloroethyl (p-ethoxycarbonylphenyl)carbamate (CAS 208709-20-0), with molecular formula C12H14ClNO4 and molecular weight 271.06 g/mol. IUPAC: ethyl 4-(2-chloroethoxycarbonylamino)benzoate.
Chemical Property Profile of 2-Chloroethyl (p-ethoxycarbonylphenyl)carbamate
Property Insights of 2-Chloroethyl (p-ethoxycarbonylphenyl)carbamate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl (p-ethoxycarbonylphenyl)carbamate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloroethyl (p-ethoxycarbonylphenyl)carbamate. Following Lipinski's Rule of Five, 2-Chloroethyl (p-ethoxycarbonylphenyl)carbamate has 1 hydrogen bond donor(s) and 4 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 2-Chloroethyl (p-ethoxycarbonylphenyl)carbamate?
The CAS number of 2-Chloroethyl (p-ethoxycarbonylphenyl)carbamate is 208709-20-0.
What is the molecular formula of 2-Chloroethyl (p-ethoxycarbonylphenyl)carbamate?
The molecular formula of 2-Chloroethyl (p-ethoxycarbonylphenyl)carbamate is C12H14ClNO4.
What is the molecular weight of 2-Chloroethyl (p-ethoxycarbonylphenyl)carbamate?
The molecular weight of 2-Chloroethyl (p-ethoxycarbonylphenyl)carbamate is 271.06 g/mol.
Where can I buy 2-Chloroethyl (p-ethoxycarbonylphenyl)carbamate?
You can request a quote for 2-Chloroethyl (p-ethoxycarbonylphenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl (p-ethoxycarbonylphenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl (p-ethoxycarbonylphenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.