Carbamic acid, methyl(phenylthio)-, o-isopropoxyphenyl ester
TL;DR: Carbamic acid, methyl(phenylthio)-, o-isopropoxyphenyl ester (CAS 50539-82-7) is a chemical compound with molecular formula C17H19NO3S and molecular weight 317.11 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-phenylsulfanylcarbamate
Also Known As: N-(Phenylthio)propoxur, o-Isopropoxyphenyl N-methyl-N-phenylsulfenylcarbamate, CARBAMIC ACID, METHYL(PHENYLTHIO)-, o-ISOPROPOXYPHENYL ESTER, (2-propan-2-yloxyphenyl) N-methyl-N-phenylsulfanylcarbamate, 2-[(Propan-2-yl)oxy]phenyl methyl(phenylsulfanyl)carbamate
| Molecular Formula | C17H19NO3S |
|---|---|
| Molecular Weight | 317.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 64.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 317.10855 |
| Heavy Atoms | 22 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 50539-82-7 |
|---|---|
| SMILES | CC(C)OC1=CC=CC=C1OC(=O)N(C)SC2=CC=CC=C2 |
| InChIKey | UMAXIYUNYJXUGI-UHFFFAOYSA-N |
Product Overview
Carbamic acid, methyl(phenylthio)-, o-isopropoxyphenyl ester (CAS 50539-82-7), with molecular formula C17H19NO3S and molecular weight 317.11 g/mol. IUPAC: (2-propan-2-yloxyphenyl) N-methyl-N-phenylsulfanylcarbamate.
Chemical Property Profile of Carbamic acid, methyl(phenylthio)-, o-isopropoxyphenyl ester
Property Insights of Carbamic acid, methyl(phenylthio)-, o-isopropoxyphenyl ester
The XLogP value of 4.1 indicates that Carbamic acid, methyl(phenylthio)-, 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(phenylthio)-, o-isopropoxyphenyl ester. Following Lipinski's Rule of Five, Carbamic acid, methyl(phenylthio)-, 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(phenylthio)-, o-isopropoxyphenyl ester?
The CAS number of Carbamic acid, methyl(phenylthio)-, o-isopropoxyphenyl ester is 50539-82-7.
What is the molecular formula of Carbamic acid, methyl(phenylthio)-, o-isopropoxyphenyl ester?
The molecular formula of Carbamic acid, methyl(phenylthio)-, o-isopropoxyphenyl ester is C17H19NO3S.
What is the molecular weight of Carbamic acid, methyl(phenylthio)-, o-isopropoxyphenyl ester?
The molecular weight of Carbamic acid, methyl(phenylthio)-, o-isopropoxyphenyl ester is 317.11 g/mol.
Where can I buy Carbamic acid, methyl(phenylthio)-, o-isopropoxyphenyl ester?
You can request a quote for Carbamic acid, methyl(phenylthio)-, 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(phenylthio)-, o-isopropoxyphenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, methyl(phenylthio)-, o-isopropoxyphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.