2-methylpropyl N-(2-chloroethyl)carbamate
TL;DR: 2-methylpropyl N-(2-chloroethyl)carbamate (CAS 16396-05-7) 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.
2-methylpropyl N-(2-chloroethyl)carbamate
Also Known As: Isobutyl N-Chloroethylcarbamate, 2-methylpropyl N-(2-chloroethyl)carbamate, 2-Methylpropyl (2-chloroethyl)carbamate
| Molecular Formula | C7H14ClNO2 |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 179.0713 |
| Heavy Atoms | 11 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 16396-05-7 |
|---|---|
| SMILES | CC(C)COC(=O)NCCCl |
| InChIKey | QPDRABWFPJCMQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-methylpropyl N-(2-chloroethyl)carbamate (CAS 16396-05-7), with molecular formula C7H14ClNO2 and molecular weight 179.07 g/mol. IUPAC: 2-methylpropyl N-(2-chloroethyl)carbamate.
Chemical Property Profile of 2-methylpropyl N-(2-chloroethyl)carbamate
Property Insights of 2-methylpropyl N-(2-chloroethyl)carbamate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methylpropyl N-(2-chloroethyl)carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, 2-methylpropyl N-(2-chloroethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methylpropyl N-(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 2-methylpropyl N-(2-chloroethyl)carbamate?
The CAS number of 2-methylpropyl N-(2-chloroethyl)carbamate is 16396-05-7.
What is the molecular formula of 2-methylpropyl N-(2-chloroethyl)carbamate?
The molecular formula of 2-methylpropyl N-(2-chloroethyl)carbamate is C7H14ClNO2.
What is the molecular weight of 2-methylpropyl N-(2-chloroethyl)carbamate?
The molecular weight of 2-methylpropyl N-(2-chloroethyl)carbamate is 179.07 g/mol.
Where can I buy 2-methylpropyl N-(2-chloroethyl)carbamate?
You can request a quote for 2-methylpropyl N-(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 2-methylpropyl N-(2-chloroethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-methylpropyl N-(2-chloroethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.