![4-Chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid structure](/static/products/5301/530146-17-9.webp)
4-Chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid
TL;DR: 4-Chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid (CAS 530146-17-9) is a chemical compound with molecular formula C15H9ClN4O7S and molecular weight 423.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid
Also Known As: 4-chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid, 4-chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic a, 4-CHLORO-3-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 4-chloro-3-[(3,5-dinitrobenzoyl)thiocarbamoylamino]benzoic Acid, 4-Chloro-3-{[(3,5-dinitrobenzoyl)carbamothioyl]amino}benzoic acid
| Molecular Formula | C15H9ClN4O7S |
|---|---|
| Molecular Weight | 423.99 g/mol |
| LogP | 2.9814 |
| Topological Polar Surface Area | 164.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.98804 |
| Heavy Atoms | 28 |
| Complexity | 995.19415 |
Chemical Identifiers
| CAS Number | 530146-17-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Cl |
Product Overview
4-Chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid (CAS 530146-17-9), with molecular formula C15H9ClN4O7S and molecular weight 423.99 g/mol. IUPAC: 4-chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-Chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid
Property Insights of 4-Chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid
The XLogP value of 2.9814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid. The TPSA of 164.71 Ų indicates high polarity, suggesting 4-Chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid has 3 hydrogen bond donor(s) and 7 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 4-Chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid?
The CAS number of 4-Chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid is 530146-17-9.
What is the molecular formula of 4-Chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid?
The molecular formula of 4-Chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid is C15H9ClN4O7S.
What is the molecular weight of 4-Chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid?
The molecular weight of 4-Chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid is 423.99 g/mol.
Where can I buy 4-Chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid?
You can request a quote for 4-Chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.