![4-[(Propanoylcarbamothioyl)amino]benzoic acid structure](/static/products/4352/435286-96-7.webp)
4-[(Propanoylcarbamothioyl)amino]benzoic acid
TL;DR: 4-[(Propanoylcarbamothioyl)amino]benzoic acid (CAS 435286-96-7) is a chemical compound with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(propanoylcarbamothioylamino)benzoic acid
Also Known As: 4-(3-Propionylthioureido)benzoic acid, 4-(propanoylcarbamothioylamino)benzoic acid, 4-[(propanoylcarbamothioyl)amino]benzoic acid, 4-[(PROPANAMIDOMETHANETHIOYL)AMINO]BENZOIC ACID, 4-(propanoylthiocarbamoylamino)benzoic Acid
| Molecular Formula | C11H12N2O3S |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 1.6078 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.05687 |
| Heavy Atoms | 17 |
| Complexity | 442.5347 |
Chemical Identifiers
| CAS Number | 435286-96-7 |
|---|---|
| SMILES | CCC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)O |
Product Overview
4-[(Propanoylcarbamothioyl)amino]benzoic acid (CAS 435286-96-7), with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol. IUPAC: 4-(propanoylcarbamothioylamino)benzoic acid.
Chemical Property Profile of 4-[(Propanoylcarbamothioyl)amino]benzoic acid
Property Insights of 4-[(Propanoylcarbamothioyl)amino]benzoic acid
The XLogP value of 1.6078 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(Propanoylcarbamothioyl)amino]benzoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(Propanoylcarbamothioyl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-[(Propanoylcarbamothioyl)amino]benzoic acid has 3 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-[(Propanoylcarbamothioyl)amino]benzoic acid?
The CAS number of 4-[(Propanoylcarbamothioyl)amino]benzoic acid is 435286-96-7.
What is the molecular formula of 4-[(Propanoylcarbamothioyl)amino]benzoic acid?
The molecular formula of 4-[(Propanoylcarbamothioyl)amino]benzoic acid is C11H12N2O3S.
What is the molecular weight of 4-[(Propanoylcarbamothioyl)amino]benzoic acid?
The molecular weight of 4-[(Propanoylcarbamothioyl)amino]benzoic acid is 252.06 g/mol.
Where can I buy 4-[(Propanoylcarbamothioyl)amino]benzoic acid?
You can request a quote for 4-[(Propanoylcarbamothioyl)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 4-[(Propanoylcarbamothioyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(Propanoylcarbamothioyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.