Butyl (2-chloroethyl)carbamate
TL;DR: Butyl (2-chloroethyl)carbamate (CAS 149709-60-4) is a chemical compound with molecular formula C7H14ClNO2 and molecular weight 179.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N-(2-chloroethyl)carbamate
Also Known As: Butyl (2-chloroethyl)carbamate, butyl(2-chloroethyl)carbamate, butyl N-(2-chloroethyl)carbamate, Carbamic acid, (2-chloroethyl)-, butyl ester (6CI,9CI), (2R,4S)-5-(Biphenyl-4-yl)-4-[(tert-butoxycarbonyl)amino]-2-methylpentanoic Acid Ethyl Ester
| Molecular Formula | C7H14ClNO2 |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 179.0713 |
| Heavy Atoms | 11 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 149709-60-4 |
|---|---|
| SMILES | CCCCOC(=O)NCCCl |
| InChIKey | VITRTNARJBYJOF-UHFFFAOYSA-N |
Product Overview
Butyl (2-chloroethyl)carbamate (CAS 149709-60-4), with molecular formula C7H14ClNO2 and molecular weight 179.07 g/mol. IUPAC: butyl N-(2-chloroethyl)carbamate.
Chemical Property Profile of Butyl (2-chloroethyl)carbamate
Property Insights of Butyl (2-chloroethyl)carbamate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl (2-chloroethyl)carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Butyl (2-chloroethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl (2-chloroethyl)carbamate has 1 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 Butyl (2-chloroethyl)carbamate?
The CAS number of Butyl (2-chloroethyl)carbamate is 149709-60-4.
What is the molecular formula of Butyl (2-chloroethyl)carbamate?
The molecular formula of Butyl (2-chloroethyl)carbamate is C7H14ClNO2.
What is the molecular weight of Butyl (2-chloroethyl)carbamate?
The molecular weight of Butyl (2-chloroethyl)carbamate is 179.07 g/mol.
Where can I buy Butyl (2-chloroethyl)carbamate?
You can request a quote for Butyl (2-chloroethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl (2-chloroethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Butyl (2-chloroethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.