2-Methylbutyl (3-chlorophenyl)carbamate
TL;DR: 2-Methylbutyl (3-chlorophenyl)carbamate (CAS 7770-07-2) 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.
2-methylbutyl N-(3-chlorophenyl)carbamate
Also Known As: 2-Methylbutyl (3-chlorophenyl)carbamate, 2-methylbutyl N-(3-chlorophenyl)carbamate, Carbamic acid, (3-chlorophenyl)-, 2-methylbutyl ester (9CI)
| Molecular Formula | C12H16ClNO2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 4.3 |
| 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 | 7770-07-2 |
|---|---|
| SMILES | CCC(C)COC(=O)NC1=CC(=CC=C1)Cl |
| InChIKey | INSRXJLSRBPFOB-UHFFFAOYSA-N |
Product Overview
2-Methylbutyl (3-chlorophenyl)carbamate (CAS 7770-07-2), with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol. IUPAC: 2-methylbutyl N-(3-chlorophenyl)carbamate.
Chemical Property Profile of 2-Methylbutyl (3-chlorophenyl)carbamate
Property Insights of 2-Methylbutyl (3-chlorophenyl)carbamate
The XLogP value of 4.3 indicates that 2-Methylbutyl (3-chlorophenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 2-Methylbutyl (3-chlorophenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbutyl (3-chlorophenyl)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-Methylbutyl (3-chlorophenyl)carbamate?
The CAS number of 2-Methylbutyl (3-chlorophenyl)carbamate is 7770-07-2.
What is the molecular formula of 2-Methylbutyl (3-chlorophenyl)carbamate?
The molecular formula of 2-Methylbutyl (3-chlorophenyl)carbamate is C12H16ClNO2.
What is the molecular weight of 2-Methylbutyl (3-chlorophenyl)carbamate?
The molecular weight of 2-Methylbutyl (3-chlorophenyl)carbamate is 241.09 g/mol.
Where can I buy 2-Methylbutyl (3-chlorophenyl)carbamate?
You can request a quote for 2-Methylbutyl (3-chlorophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbutyl (3-chlorophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbutyl (3-chlorophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.