Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester
TL;DR: Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester (CAS 14285-43-9) is a chemical compound with molecular formula C12H17NO2S and molecular weight 239.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylsulfanyl-3-propan-2-ylphenyl) N-methylcarbamate
Also Known As: CARBAMIC ACID, METHYL-, 4-METHYLTHIO-m-CUMENYL ESTER, Phenol, 3-(1-methylethyl)-4-(methylthio)-, methylcarbamate, (4-methylsulfanyl-3-propan-2-ylphenyl) N-methylcarbamate, Carbamic acid, methyl-, 4-(methylthio)-m-cumenyl ester, 4-(methylsulfanyl)-3-(propan-2-yl)phenyl methylcarbamate
| Molecular Formula | C12H17NO2S |
|---|---|
| Molecular Weight | 239.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.098 |
| Heavy Atoms | 16 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 14285-43-9 |
|---|---|
| SMILES | CC(C)C1=C(C=CC(=C1)OC(=O)NC)SC |
| InChIKey | COEYNUSLWGVZRD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester (CAS 14285-43-9), with molecular formula C12H17NO2S and molecular weight 239.10 g/mol. IUPAC: (4-methylsulfanyl-3-propan-2-ylphenyl) N-methylcarbamate.
Chemical Property Profile of Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester
Property Insights of Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester
The XLogP value of 3.2 indicates that Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester. Following Lipinski's Rule of Five, Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester has 1 hydrogen bond donor(s) and 3 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 Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester?
The CAS number of Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester is 14285-43-9.
What is the molecular formula of Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester?
The molecular formula of Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester is C12H17NO2S.
What is the molecular weight of Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester?
The molecular weight of Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester is 239.10 g/mol.
Where can I buy Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester?
You can request a quote for Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, methyl-, 4-methylthio-m-cumenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.