![3,5-Dichloro-2-[[[(3,5-dinitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid structure](/static/products/5324/532415-87-5.webp)
3,5-Dichloro-2-[[[(3,5-dinitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid
TL;DR: 3,5-Dichloro-2-[[[(3,5-dinitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid (CAS 532415-87-5) is a chemical compound with molecular formula C15H8Cl2N4O7S and molecular weight 457.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dichloro-2-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid
Also Known As: 3,5-dichloro-2-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid, 3,5-dichloro-2-[(3,5-dinitrobenzoyl)thiocarbamoylamino]benzoic Acid, 3,5-Dichloro-2-[[[(3,5-dinitrobenzoyl)amino]thioxomethyl ]amino]-benzoic acid
| Molecular Formula | C15H8Cl2N4O7S |
|---|---|
| Molecular Weight | 457.95 g/mol |
| LogP | 3.6348 |
| Topological Polar Surface Area | 164.71 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.94907 |
| Heavy Atoms | 29 |
| Complexity | 1044.6207 |
Chemical Identifiers
| CAS Number | 532415-87-5 |
|---|---|
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=C(C=C2Cl)Cl)C(=O)O |
Product Overview
3,5-Dichloro-2-[[[(3,5-dinitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid (CAS 532415-87-5), with molecular formula C15H8Cl2N4O7S and molecular weight 457.95 g/mol. IUPAC: 3,5-dichloro-2-[(3,5-dinitrobenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 3,5-Dichloro-2-[[[(3,5-dinitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid
Property Insights of 3,5-Dichloro-2-[[[(3,5-dinitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid
The XLogP value of 3.6348 indicates that 3,5-Dichloro-2-[[[(3,5-dinitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.71 Ų indicates high polarity, suggesting 3,5-Dichloro-2-[[[(3,5-dinitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 3,5-Dichloro-2-[[[(3,5-dinitrobenzoyl)amino]thioxomethyl]amino]-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 3,5-Dichloro-2-[[[(3,5-dinitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid?
The CAS number of 3,5-Dichloro-2-[[[(3,5-dinitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid is 532415-87-5.
What is the molecular formula of 3,5-Dichloro-2-[[[(3,5-dinitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid?
The molecular formula of 3,5-Dichloro-2-[[[(3,5-dinitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid is C15H8Cl2N4O7S.
What is the molecular weight of 3,5-Dichloro-2-[[[(3,5-dinitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid?
The molecular weight of 3,5-Dichloro-2-[[[(3,5-dinitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid is 457.95 g/mol.
Where can I buy 3,5-Dichloro-2-[[[(3,5-dinitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid?
You can request a quote for 3,5-Dichloro-2-[[[(3,5-dinitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dichloro-2-[[[(3,5-dinitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dichloro-2-[[[(3,5-dinitrobenzoyl)amino]thioxomethyl]amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.