Butyl (3-chloro-4-methylphenyl)carbamate
TL;DR: Butyl (3-chloro-4-methylphenyl)carbamate (CAS 430468-66-9) 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.
butyl N-(3-chloro-4-methylphenyl)carbamate
Also Known As: butyl (3-chloro-4-methylphenyl)carbamate, butyl 3-chloro-4-methylphenylcarbamate, butyl N-(3-chloro-4-methylphenyl)carbamate, AS-871/15339402, Cambridge id 6638970
| Molecular Formula | C12H16ClNO2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 3.99702 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.08696 |
| Heavy Atoms | 16 |
| Complexity | 366.03644 |
Chemical Identifiers
| CAS Number | 430468-66-9 |
|---|---|
| SMILES | CCCCOC(=O)NC1=CC(=C(C=C1)C)Cl |
Product Overview
Butyl (3-chloro-4-methylphenyl)carbamate (CAS 430468-66-9), with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol. IUPAC: butyl N-(3-chloro-4-methylphenyl)carbamate.
Chemical Property Profile of Butyl (3-chloro-4-methylphenyl)carbamate
Property Insights of Butyl (3-chloro-4-methylphenyl)carbamate
The XLogP value of 3.99702 indicates that Butyl (3-chloro-4-methylphenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, Butyl (3-chloro-4-methylphenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl (3-chloro-4-methylphenyl)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 (3-chloro-4-methylphenyl)carbamate?
The CAS number of Butyl (3-chloro-4-methylphenyl)carbamate is 430468-66-9.
What is the molecular formula of Butyl (3-chloro-4-methylphenyl)carbamate?
The molecular formula of Butyl (3-chloro-4-methylphenyl)carbamate is C12H16ClNO2.
What is the molecular weight of Butyl (3-chloro-4-methylphenyl)carbamate?
The molecular weight of Butyl (3-chloro-4-methylphenyl)carbamate is 241.09 g/mol.
Where can I buy Butyl (3-chloro-4-methylphenyl)carbamate?
You can request a quote for Butyl (3-chloro-4-methylphenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl (3-chloro-4-methylphenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Butyl (3-chloro-4-methylphenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.