![3-[(Pentanoylcarbamothioyl)amino]benzoic acid structure](/static/products/4339/433952-31-9.webp)
3-[(Pentanoylcarbamothioyl)amino]benzoic acid
TL;DR: 3-[(Pentanoylcarbamothioyl)amino]benzoic acid (CAS 433952-31-9) is a chemical compound with molecular formula C13H16N2O3S and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pentanoylcarbamothioylamino)benzoic acid
Also Known As: 3-[(pentanoylcarbamothioyl)amino]benzoic acid, 3-(pentanoylcarbamothioylamino)benzoic acid, 3-(pentanoylthiocarbamoylamino)benzoic Acid, 3-[[[ AMINO]THIOXOMETHYL]AMINO]-BENZOICACID, 3-[[[(1-Oxopentyl)amino]thioxomethyl]amino]-benzoic acid
| Molecular Formula | C13H16N2O3S |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 2.388 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.08817 |
| Heavy Atoms | 19 |
| Complexity | 488.53162 |
Chemical Identifiers
| CAS Number | 433952-31-9 |
|---|---|
| SMILES | CCCCC(=O)NC(=S)NC1=CC=CC(=C1)C(=O)O |
Product Overview
3-[(Pentanoylcarbamothioyl)amino]benzoic acid (CAS 433952-31-9), with molecular formula C13H16N2O3S and molecular weight 280.09 g/mol. IUPAC: 3-(pentanoylcarbamothioylamino)benzoic acid.
Chemical Property Profile of 3-[(Pentanoylcarbamothioyl)amino]benzoic acid
Property Insights of 3-[(Pentanoylcarbamothioyl)amino]benzoic acid
The XLogP value of 2.388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Pentanoylcarbamothioyl)amino]benzoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Pentanoylcarbamothioyl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[(Pentanoylcarbamothioyl)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 3-[(Pentanoylcarbamothioyl)amino]benzoic acid?
The CAS number of 3-[(Pentanoylcarbamothioyl)amino]benzoic acid is 433952-31-9.
What is the molecular formula of 3-[(Pentanoylcarbamothioyl)amino]benzoic acid?
The molecular formula of 3-[(Pentanoylcarbamothioyl)amino]benzoic acid is C13H16N2O3S.
What is the molecular weight of 3-[(Pentanoylcarbamothioyl)amino]benzoic acid?
The molecular weight of 3-[(Pentanoylcarbamothioyl)amino]benzoic acid is 280.09 g/mol.
Where can I buy 3-[(Pentanoylcarbamothioyl)amino]benzoic acid?
You can request a quote for 3-[(Pentanoylcarbamothioyl)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-[(Pentanoylcarbamothioyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Pentanoylcarbamothioyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.