![4-[(4-Carboxyphenyl)carbamothioylamino]benzoic acid structure](/static/products/3394/33942-52-8.webp)
4-[(4-Carboxyphenyl)carbamothioylamino]benzoic acid
TL;DR: 4-[(4-Carboxyphenyl)carbamothioylamino]benzoic acid (CAS 33942-52-8) is a chemical compound with molecular formula C15H12N2O4S and molecular weight 316.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-carboxyphenyl)carbamothioylamino]benzoic acid
Also Known As: 1,3-Bis(4-carboxyphenyl)thiourea, J2.883.312A, 4-[(4-carboxyphenyl)carbamothioylamino]benzoic acid, 4,4'-[Carbonothioylbis(azanediyl)]dibenzoic acid, 4-{[(4-CARBOXYPHENYL)CARBAMOTHIOYL]AMINO}BENZOIC ACID
| Molecular Formula | C15H12N2O4S |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 2.8919 |
| Topological Polar Surface Area | 98.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0518 |
| Heavy Atoms | 22 |
| Complexity | 649.8272 |
Chemical Identifiers
| CAS Number | 33942-52-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)NC(=S)NC2=CC=C(C=C2)C(=O)O |
Product Overview
4-[(4-Carboxyphenyl)carbamothioylamino]benzoic acid (CAS 33942-52-8), with molecular formula C15H12N2O4S and molecular weight 316.05 g/mol. IUPAC: 4-[(4-carboxyphenyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 4-[(4-Carboxyphenyl)carbamothioylamino]benzoic acid
Property Insights of 4-[(4-Carboxyphenyl)carbamothioylamino]benzoic acid
The XLogP value of 2.8919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-Carboxyphenyl)carbamothioylamino]benzoic acid. The TPSA of 98.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Carboxyphenyl)carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 4-[(4-Carboxyphenyl)carbamothioylamino]benzoic acid has 4 hydrogen bond donor(s) and 3 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-[(4-Carboxyphenyl)carbamothioylamino]benzoic acid?
The CAS number of 4-[(4-Carboxyphenyl)carbamothioylamino]benzoic acid is 33942-52-8.
What is the molecular formula of 4-[(4-Carboxyphenyl)carbamothioylamino]benzoic acid?
The molecular formula of 4-[(4-Carboxyphenyl)carbamothioylamino]benzoic acid is C15H12N2O4S.
What is the molecular weight of 4-[(4-Carboxyphenyl)carbamothioylamino]benzoic acid?
The molecular weight of 4-[(4-Carboxyphenyl)carbamothioylamino]benzoic acid is 316.05 g/mol.
Where can I buy 4-[(4-Carboxyphenyl)carbamothioylamino]benzoic acid?
You can request a quote for 4-[(4-Carboxyphenyl)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-[(4-Carboxyphenyl)carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Carboxyphenyl)carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.