Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester
TL;DR: Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester (CAS 111044-15-6) is a chemical compound with molecular formula C20H13BrN2O4S and molecular weight 455.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2-benzoyl-4-nitrophenyl)-4-bromophenyl]carbamothioic S-acid
Also Known As: O-(2-Benzoyl-4-nitrophenyl) (4-bromophenyl)carbamothioate, Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester, [2-(2-benzoyl-4-nitrophenyl)-4-bromophenyl]carbamothioic S-acid, (2'-Benzoyl-5-bromo-4'-nitro[1,1'-biphenyl]-2-yl)carbamothioic S-acid, RefChem:332872
| Molecular Formula | C20H13BrN2O4S |
|---|---|
| Molecular Weight | 455.98 g/mol |
| LogP | 5.717 |
| Topological Polar Surface Area | 89.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 455.97794 |
| Heavy Atoms | 28 |
| Complexity | 1086.8187 |
Chemical Identifiers
| CAS Number | 111044-15-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C3=C(C=CC(=C3)Br)NC(=O)S |
Product Overview
Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester (CAS 111044-15-6), with molecular formula C20H13BrN2O4S and molecular weight 455.98 g/mol. IUPAC: [2-(2-benzoyl-4-nitrophenyl)-4-bromophenyl]carbamothioic S-acid.
Chemical Property Profile of Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester
Property Insights of Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester
The XLogP value of 5.717 indicates that Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.31 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester. Following Lipinski's Rule of Five, Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester has 2 hydrogen bond donor(s) and 4 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-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester?
The CAS number of Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester is 111044-15-6.
What is the molecular formula of Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester?
The molecular formula of Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester is C20H13BrN2O4S.
What is the molecular weight of Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester?
The molecular weight of Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester is 455.98 g/mol.
Where can I buy Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester?
You can request a quote for Carbamothioic acid, (4-bromophenyl)-, 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-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamothioic acid, (4-bromophenyl)-, O-(2-benzoyl-4-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.