Methyl 3-chloro-4-methylcarbanilate
TL;DR: Methyl 3-chloro-4-methylcarbanilate (CAS 22133-20-6) 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-(3-chloro-4-methylphenyl)carbamate
Also Known As: Methyl 3-chloro-4-methylcarbanilate, methyl N-(3-chloro-4-methylphenyl)carbamate, methyl (3-chloro-4-methylphenyl)carbamate, Methyl 3-chloro-4-methylphenylcarbamate, methyl(3-chloro-4-methylphenyl)carbamate
| Molecular Formula | C9H10ClNO2 |
|---|---|
| Molecular Weight | 199.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.04001 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 22133-20-6 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)OC)Cl |
| InChIKey | QURFKMPDWGGSOK-UHFFFAOYSA-N |
Product Overview
Methyl 3-chloro-4-methylcarbanilate (CAS 22133-20-6), with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol. IUPAC: methyl N-(3-chloro-4-methylphenyl)carbamate.
Chemical Property Profile of Methyl 3-chloro-4-methylcarbanilate
Property Insights of Methyl 3-chloro-4-methylcarbanilate
The XLogP value of 3.1 indicates that Methyl 3-chloro-4-methylcarbanilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Methyl 3-chloro-4-methylcarbanilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-chloro-4-methylcarbanilate 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 3-chloro-4-methylcarbanilate?
The CAS number of Methyl 3-chloro-4-methylcarbanilate is 22133-20-6.
What is the molecular formula of Methyl 3-chloro-4-methylcarbanilate?
The molecular formula of Methyl 3-chloro-4-methylcarbanilate is C9H10ClNO2.
What is the molecular weight of Methyl 3-chloro-4-methylcarbanilate?
The molecular weight of Methyl 3-chloro-4-methylcarbanilate is 199.04 g/mol.
Where can I buy Methyl 3-chloro-4-methylcarbanilate?
You can request a quote for Methyl 3-chloro-4-methylcarbanilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-chloro-4-methylcarbanilate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-chloro-4-methylcarbanilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.