Carbamic acid, methyl((2-methylphenyl)thio)-, o-isopropoxyphenyl ester
TL;DR: Carbamic acid, methyl((2-methylphenyl)thio)-, o-isopropoxyphenyl ester (CAS 50539-85-0) is a chemical compound with molecular formula C18H21NO3S and molecular weight 331.12 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-(2-methylphenyl)sulfanylcarbamate
Also Known As: S-Baygon, N-(2-Toluenesulfenyl)propoxur, o-Isopropoxyphenyl methyl((2-methylphenyl)thio)carbamate, Carbamic acid, methyl((2-methylphenyl)thio)-, o-isopropoxyphenyl ester, Carbamic acid, methyl((2-methylphenyl)thio)-, 2-(1-methylethoxy)phenyl ester
| Molecular Formula | C18H21NO3S |
|---|---|
| Molecular Weight | 331.12 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.1242 |
| Heavy Atoms | 23 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 50539-85-0 |
|---|---|
| SMILES | CC1=CC=CC=C1SN(C)C(=O)OC2=CC=CC=C2OC(C)C |
| InChIKey | ABBHZMFFOYHEHY-UHFFFAOYSA-N |
Product Overview
Carbamic acid, methyl((2-methylphenyl)thio)-, o-isopropoxyphenyl ester (CAS 50539-85-0), with molecular formula C18H21NO3S and molecular weight 331.12 g/mol. IUPAC: (2-propan-2-yloxyphenyl) N-methyl-N-(2-methylphenyl)sulfanylcarbamate.
Chemical Property Profile of Carbamic acid, methyl((2-methylphenyl)thio)-, o-isopropoxyphenyl ester
Property Insights of Carbamic acid, methyl((2-methylphenyl)thio)-, o-isopropoxyphenyl ester
The XLogP value of 4.8 indicates that Carbamic acid, methyl((2-methylphenyl)thio)-, o-isopropoxyphenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, methyl((2-methylphenyl)thio)-, o-isopropoxyphenyl ester. Following Lipinski's Rule of Five, Carbamic acid, methyl((2-methylphenyl)thio)-, o-isopropoxyphenyl 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((2-methylphenyl)thio)-, o-isopropoxyphenyl ester?
The CAS number of Carbamic acid, methyl((2-methylphenyl)thio)-, o-isopropoxyphenyl ester is 50539-85-0.
What is the molecular formula of Carbamic acid, methyl((2-methylphenyl)thio)-, o-isopropoxyphenyl ester?
The molecular formula of Carbamic acid, methyl((2-methylphenyl)thio)-, o-isopropoxyphenyl ester is C18H21NO3S.
What is the molecular weight of Carbamic acid, methyl((2-methylphenyl)thio)-, o-isopropoxyphenyl ester?
The molecular weight of Carbamic acid, methyl((2-methylphenyl)thio)-, o-isopropoxyphenyl ester is 331.12 g/mol.
Where can I buy Carbamic acid, methyl((2-methylphenyl)thio)-, o-isopropoxyphenyl ester?
You can request a quote for Carbamic acid, methyl((2-methylphenyl)thio)-, o-isopropoxyphenyl 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((2-methylphenyl)thio)-, o-isopropoxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, methyl((2-methylphenyl)thio)-, o-isopropoxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.