Carbamic acid, methyl-, o-(3-(methylthio)propyl)phenyl ester
TL;DR: Carbamic acid, methyl-, o-(3-(methylthio)propyl)phenyl ester (CAS 16637-86-8) 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.
[2-(3-methylsulfanylpropyl)phenyl] N-methylcarbamate
Also Known As: Hooker hrs-1667, HRS 1667, ENT 27,173, AI3-27173, 2-(3-(Methylthio)propyl)phenyl methylcarbamate
| Molecular Formula | C12H17NO2S |
|---|---|
| Molecular Weight | 239.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.098 |
| Heavy Atoms | 16 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 16637-86-8 |
|---|---|
| SMILES | CNC(=O)OC1=CC=CC=C1CCCSC |
| InChIKey | NBUCQPQCJZGMQW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbamic acid, methyl-, o-(3-(methylthio)propyl)phenyl ester (CAS 16637-86-8), with molecular formula C12H17NO2S and molecular weight 239.10 g/mol. IUPAC: [2-(3-methylsulfanylpropyl)phenyl] N-methylcarbamate.
Chemical Property Profile of Carbamic acid, methyl-, o-(3-(methylthio)propyl)phenyl ester
Property Insights of Carbamic acid, methyl-, o-(3-(methylthio)propyl)phenyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, methyl-, o-(3-(methylthio)propyl)phenyl ester. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, methyl-, o-(3-(methylthio)propyl)phenyl ester. Following Lipinski's Rule of Five, Carbamic acid, methyl-, o-(3-(methylthio)propyl)phenyl 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-, o-(3-(methylthio)propyl)phenyl ester?
The CAS number of Carbamic acid, methyl-, o-(3-(methylthio)propyl)phenyl ester is 16637-86-8.
What is the molecular formula of Carbamic acid, methyl-, o-(3-(methylthio)propyl)phenyl ester?
The molecular formula of Carbamic acid, methyl-, o-(3-(methylthio)propyl)phenyl ester is C12H17NO2S.
What is the molecular weight of Carbamic acid, methyl-, o-(3-(methylthio)propyl)phenyl ester?
The molecular weight of Carbamic acid, methyl-, o-(3-(methylthio)propyl)phenyl ester is 239.10 g/mol.
Where can I buy Carbamic acid, methyl-, o-(3-(methylthio)propyl)phenyl ester?
You can request a quote for Carbamic acid, methyl-, o-(3-(methylthio)propyl)phenyl 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-, o-(3-(methylthio)propyl)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, methyl-, o-(3-(methylthio)propyl)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.