![3-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid structure](/static/products/5324/532429-86-0.webp)
3-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid
TL;DR: 3-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid (CAS 532429-86-0) is a chemical compound with molecular formula C15H9BrClN3O5S and molecular weight 456.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-bromo-5-nitrobenzoyl)carbamothioylamino]-4-chlorobenzoic acid
Also Known As: 3-[(2-bromo-5-nitrobenzoyl)carbamothioylamino]-4-chlorobenzoic acid, 3-[(2-bromo-5-nitro-benzoyl)thiocarbamoylamino]-4-chloro-benzoic Acid, 3-[[[(2-BROMO-5-NITROBENZOYL)AMINO]THIOXOMETHYL ]AMINO]-4-CHLORO-BENZOIC ACID
| Molecular Formula | C15H9BrClN3O5S |
|---|---|
| Molecular Weight | 456.91 g/mol |
| LogP | 3.8357 |
| Topological Polar Surface Area | 121.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 456.91348 |
| Heavy Atoms | 26 |
| Complexity | 937.49304 |
Chemical Identifiers
| CAS Number | 532429-86-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Br)Cl |
Product Overview
3-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid (CAS 532429-86-0), with molecular formula C15H9BrClN3O5S and molecular weight 456.91 g/mol. IUPAC: 3-[(2-bromo-5-nitrobenzoyl)carbamothioylamino]-4-chlorobenzoic acid.
Chemical Property Profile of 3-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid
Property Insights of 3-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid
The XLogP value of 3.8357 indicates that 3-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid. Following Lipinski's Rule of Five, 3-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid has 3 hydrogen bond donor(s) and 5 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 3-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid?
The CAS number of 3-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid is 532429-86-0.
What is the molecular formula of 3-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid?
The molecular formula of 3-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid is C15H9BrClN3O5S.
What is the molecular weight of 3-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid?
The molecular weight of 3-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid is 456.91 g/mol.
Where can I buy 3-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid?
You can request a quote for 3-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[[(2-Bromo-5-nitrobenzoyl)amino]thioxomethyl]amino]-4-chloro-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.