Methyl-phenyl-thiocarbamic acid O-(4-phenylcarbamoyl-phenyl) ester
TL;DR: Methyl-phenyl-thiocarbamic acid O-(4-phenylcarbamoyl-phenyl) ester (CAS 331003-76-0) is a chemical compound with molecular formula C21H18N2O2S and molecular weight 362.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
O-[4-(phenylcarbamoyl)phenyl] N-methyl-N-phenylcarbamothioate
Also Known As: BAS 00331526, Methyl-phenyl-thiocarbamic acid O-(4-phenylcarbamoyl-phenyl) ester, O-[4-(phenylcarbamoyl)phenyl] N-methyl-N-phenylcarbamothioate, Carbamothioic acid, methylphenyl-, O-[4-[(phenylamino)carbonyl]phenyl] ester, O-[4-(anilinocarbonyl)phenyl] methyl(phenyl)thiocarbamate
| Molecular Formula | C21H18N2O2S |
|---|---|
| Molecular Weight | 362.11 g/mol |
| LogP | 4.739 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.1089 |
| Heavy Atoms | 26 |
| Complexity | 880.90424 |
Chemical Identifiers
| CAS Number | 331003-76-0 |
|---|---|
| SMILES | CN(C1=CC=CC=C1)C(=S)OC2=CC=C(C=C2)C(=O)NC3=CC=CC=C3 |
Product Overview
Methyl-phenyl-thiocarbamic acid O-(4-phenylcarbamoyl-phenyl) ester (CAS 331003-76-0), with molecular formula C21H18N2O2S and molecular weight 362.11 g/mol. IUPAC: O-[4-(phenylcarbamoyl)phenyl] N-methyl-N-phenylcarbamothioate.
Chemical Property Profile of Methyl-phenyl-thiocarbamic acid O-(4-phenylcarbamoyl-phenyl) ester
Property Insights of Methyl-phenyl-thiocarbamic acid O-(4-phenylcarbamoyl-phenyl) ester
The XLogP value of 4.739 indicates that Methyl-phenyl-thiocarbamic acid O-(4-phenylcarbamoyl-phenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.57 Ų, Methyl-phenyl-thiocarbamic acid O-(4-phenylcarbamoyl-phenyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl-phenyl-thiocarbamic acid O-(4-phenylcarbamoyl-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 Methyl-phenyl-thiocarbamic acid O-(4-phenylcarbamoyl-phenyl) ester?
The CAS number of Methyl-phenyl-thiocarbamic acid O-(4-phenylcarbamoyl-phenyl) ester is 331003-76-0.
What is the molecular formula of Methyl-phenyl-thiocarbamic acid O-(4-phenylcarbamoyl-phenyl) ester?
The molecular formula of Methyl-phenyl-thiocarbamic acid O-(4-phenylcarbamoyl-phenyl) ester is C21H18N2O2S.
What is the molecular weight of Methyl-phenyl-thiocarbamic acid O-(4-phenylcarbamoyl-phenyl) ester?
The molecular weight of Methyl-phenyl-thiocarbamic acid O-(4-phenylcarbamoyl-phenyl) ester is 362.11 g/mol.
Where can I buy Methyl-phenyl-thiocarbamic acid O-(4-phenylcarbamoyl-phenyl) ester?
You can request a quote for Methyl-phenyl-thiocarbamic acid O-(4-phenylcarbamoyl-phenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl-phenyl-thiocarbamic acid O-(4-phenylcarbamoyl-phenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Methyl-phenyl-thiocarbamic acid O-(4-phenylcarbamoyl-phenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.