Carbamic acid, methyl(methylthio)-, 2-(1-methylethoxy)phenyl ester
TL;DR: Carbamic acid, methyl(methylthio)-, 2-(1-methylethoxy)phenyl ester (CAS 50539-92-9) is a chemical compound with molecular formula C12H17NO3S and molecular weight 255.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-propan-2-yloxyphenyl) N-methyl-N-methylsulfanylcarbamate
Also Known As: Methyl(methylthio)carbamic acid 2-(1-methylethoxy)phenyl ester, CARBAMIC ACID, METHYL(METHYLTHIO)-, 2-(1-METHYLETHOXY)PHENYL ESTER, (2-propan-2-yloxyphenyl) N-methyl-N-methylsulfanylcarbamate, 2-[(Propan-2-yl)oxy]phenyl methyl(methylsulfanyl)carbamate, BRN 1983671
| Molecular Formula | C12H17NO3S |
|---|---|
| Molecular Weight | 255.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.09291 |
| Heavy Atoms | 17 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 50539-92-9 |
|---|---|
| SMILES | CC(C)OC1=CC=CC=C1OC(=O)N(C)SC |
| InChIKey | PMVQDRMRDPCCHD-UHFFFAOYSA-N |
Product Overview
Carbamic acid, methyl(methylthio)-, 2-(1-methylethoxy)phenyl ester (CAS 50539-92-9), with molecular formula C12H17NO3S and molecular weight 255.09 g/mol. IUPAC: (2-propan-2-yloxyphenyl) N-methyl-N-methylsulfanylcarbamate.
Chemical Property Profile of Carbamic acid, methyl(methylthio)-, 2-(1-methylethoxy)phenyl ester
Property Insights of Carbamic acid, methyl(methylthio)-, 2-(1-methylethoxy)phenyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, methyl(methylthio)-, 2-(1-methylethoxy)phenyl ester. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, methyl(methylthio)-, 2-(1-methylethoxy)phenyl ester. Following Lipinski's Rule of Five, Carbamic acid, methyl(methylthio)-, 2-(1-methylethoxy)phenyl ester has 0 hydrogen bond donor(s) and 4 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(methylthio)-, 2-(1-methylethoxy)phenyl ester?
The CAS number of Carbamic acid, methyl(methylthio)-, 2-(1-methylethoxy)phenyl ester is 50539-92-9.
What is the molecular formula of Carbamic acid, methyl(methylthio)-, 2-(1-methylethoxy)phenyl ester?
The molecular formula of Carbamic acid, methyl(methylthio)-, 2-(1-methylethoxy)phenyl ester is C12H17NO3S.
What is the molecular weight of Carbamic acid, methyl(methylthio)-, 2-(1-methylethoxy)phenyl ester?
The molecular weight of Carbamic acid, methyl(methylthio)-, 2-(1-methylethoxy)phenyl ester is 255.09 g/mol.
Where can I buy Carbamic acid, methyl(methylthio)-, 2-(1-methylethoxy)phenyl ester?
You can request a quote for Carbamic acid, methyl(methylthio)-, 2-(1-methylethoxy)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(methylthio)-, 2-(1-methylethoxy)phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, methyl(methylthio)-, 2-(1-methylethoxy)phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.