Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester
TL;DR: Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester (CAS 111093-27-7) is a chemical compound with molecular formula C22H18N2O5S and molecular weight 422.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-benzoyl-4-nitrophenyl)-4-ethoxyphenyl]carbamothioic S-acid
Also Known As: O-(2-Benzoyl-4-nitrophenyl) (4-ethoxyphenyl)carbamothioate, Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester, [2-(2-benzoyl-4-nitrophenyl)-4-ethoxyphenyl]carbamothioic S-acid, [[2-(2-benzoyl-4-nitro-phenyl)-4-ethoxy-phenyl]amino]methanethioic aci d, (2'-Benzoyl-5-ethoxy-4'-nitro[1,1'-biphenyl]-2-yl)carbamothioic S-acid
| Molecular Formula | C22H18N2O5S |
|---|---|
| Molecular Weight | 422.09 g/mol |
| LogP | 5.3532 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.09363 |
| Heavy Atoms | 30 |
| Complexity | 1115.7657 |
Chemical Identifiers
| CAS Number | 111093-27-7 |
|---|---|
| SMILES | CCOC1=CC(=C(C=C1)NC(=O)S)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3 |
Product Overview
Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester (CAS 111093-27-7), with molecular formula C22H18N2O5S and molecular weight 422.09 g/mol. IUPAC: [2-(2-benzoyl-4-nitrophenyl)-4-ethoxyphenyl]carbamothioic S-acid.
Chemical Property Profile of Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester
Property Insights of Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester
The XLogP value of 5.3532 indicates that Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester. Following Lipinski's Rule of Five, Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester?
The CAS number of Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester is 111093-27-7.
What is the molecular formula of Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester?
The molecular formula of Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester is C22H18N2O5S.
What is the molecular weight of Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester?
The molecular weight of Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester is 422.09 g/mol.
Where can I buy Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester?
You can request a quote for Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, (4-ethoxyphenyl)-, O-(2-benzoyl-4-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.