Methyl 4-chlorobenzylcarbamate
TL;DR: Methyl 4-chlorobenzylcarbamate (CAS 130780-13-1) is a chemical compound with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl N-[(4-chlorophenyl)methyl]carbamate
Also Known As: methyl (4-chlorobenzyl)carbamate, METHYL 4-CHLOROBENZYLCARBAMATE, Methyl N-[(4-chlorophenyl)methyl]carbamate, METHYL4-CHLOROBENZYLCARBAMATE, 4-Chlorobenzylcarbamic acid methyl ester
| Molecular Formula | C9H10ClNO2 |
|---|---|
| Molecular Weight | 199.04 g/mol |
| LogP | 2.196 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.04001 |
| Heavy Atoms | 13 |
| Complexity | 284.1711 |
Chemical Identifiers
| CAS Number | 130780-13-1 |
|---|---|
| SMILES | COC(=O)NCC1=CC=C(C=C1)Cl |
Product Overview
Methyl 4-chlorobenzylcarbamate (CAS 130780-13-1), with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol. IUPAC: methyl N-[(4-chlorophenyl)methyl]carbamate.
Chemical Property Profile of Methyl 4-chlorobenzylcarbamate
Property Insights of Methyl 4-chlorobenzylcarbamate
The XLogP value of 2.196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-chlorobenzylcarbamate. With a topological polar surface area (TPSA) of 38.33 Ų, Methyl 4-chlorobenzylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-chlorobenzylcarbamate 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 Methyl 4-chlorobenzylcarbamate?
The CAS number of Methyl 4-chlorobenzylcarbamate is 130780-13-1.
What is the molecular formula of Methyl 4-chlorobenzylcarbamate?
The molecular formula of Methyl 4-chlorobenzylcarbamate is C9H10ClNO2.
What is the molecular weight of Methyl 4-chlorobenzylcarbamate?
The molecular weight of Methyl 4-chlorobenzylcarbamate is 199.04 g/mol.
Where can I buy Methyl 4-chlorobenzylcarbamate?
You can request a quote for Methyl 4-chlorobenzylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-chlorobenzylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-chlorobenzylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.