1-Methylbutyl 3-chlorophenylcarbamate
TL;DR: 1-Methylbutyl 3-chlorophenylcarbamate (CAS 5513-20-2) is a chemical compound with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentan-2-yl N-(3-chlorophenyl)carbamate
Also Known As: 1-Methylbutyl 3-chlorophenylcarbamate, 1-Methylbutyl 3-chlorophenylcarbamate #, pentan-2-yl N-(3-chlorophenyl)carbamate, Carbanilic acid, m-chloro-, 1-methylbutyl ester
| Molecular Formula | C12H16ClNO2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.08696 |
| Heavy Atoms | 16 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 5513-20-2 |
|---|---|
| SMILES | CCCC(C)OC(=O)NC1=CC(=CC=C1)Cl |
| InChIKey | NURAPFQDXWCCIJ-UHFFFAOYSA-N |
Product Overview
1-Methylbutyl 3-chlorophenylcarbamate (CAS 5513-20-2), with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol. IUPAC: pentan-2-yl N-(3-chlorophenyl)carbamate.
Chemical Property Profile of 1-Methylbutyl 3-chlorophenylcarbamate
Property Insights of 1-Methylbutyl 3-chlorophenylcarbamate
The XLogP value of 4.4 indicates that 1-Methylbutyl 3-chlorophenylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 1-Methylbutyl 3-chlorophenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methylbutyl 3-chlorophenylcarbamate 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 1-Methylbutyl 3-chlorophenylcarbamate?
The CAS number of 1-Methylbutyl 3-chlorophenylcarbamate is 5513-20-2.
What is the molecular formula of 1-Methylbutyl 3-chlorophenylcarbamate?
The molecular formula of 1-Methylbutyl 3-chlorophenylcarbamate is C12H16ClNO2.
What is the molecular weight of 1-Methylbutyl 3-chlorophenylcarbamate?
The molecular weight of 1-Methylbutyl 3-chlorophenylcarbamate is 241.09 g/mol.
Where can I buy 1-Methylbutyl 3-chlorophenylcarbamate?
You can request a quote for 1-Methylbutyl 3-chlorophenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylbutyl 3-chlorophenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylbutyl 3-chlorophenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.