![4-Methyl-3-[(pentanoylcarbamothioyl)amino]benzoic acid structure](/static/products/4336/433697-84-8.webp)
4-Methyl-3-[(pentanoylcarbamothioyl)amino]benzoic acid
TL;DR: 4-Methyl-3-[(pentanoylcarbamothioyl)amino]benzoic acid (CAS 433697-84-8) is a chemical compound with molecular formula C14H18N2O3S and molecular weight 294.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-(pentanoylcarbamothioylamino)benzoic acid
Also Known As: 4-methyl-3-(3-pentanoylthioureido)benzoic acid, 4-methyl-3-(pentanoylcarbamothioylamino)benzoic acid, 4-methyl-3-(pentanoylthiocarbamoylamino)benzoic Acid, 4-methyl-3-[(pentanoylcarbamothioyl)amino]benzoic acid, 4-methyl-3-{[(pentanoylamino)carbonothioyl]amino}benzoic acid
| Molecular Formula | C14H18N2O3S |
|---|---|
| Molecular Weight | 294.10 g/mol |
| LogP | 2.69642 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 294.10382 |
| Heavy Atoms | 20 |
| Complexity | 529.1503 |
Chemical Identifiers
| CAS Number | 433697-84-8 |
|---|---|
| SMILES | CCCCC(=O)NC(=S)NC1=C(C=CC(=C1)C(=O)O)C |
Product Overview
4-Methyl-3-[(pentanoylcarbamothioyl)amino]benzoic acid (CAS 433697-84-8), with molecular formula C14H18N2O3S and molecular weight 294.10 g/mol. IUPAC: 4-methyl-3-(pentanoylcarbamothioylamino)benzoic acid.
Chemical Property Profile of 4-Methyl-3-[(pentanoylcarbamothioyl)amino]benzoic acid
Property Insights of 4-Methyl-3-[(pentanoylcarbamothioyl)amino]benzoic acid
The XLogP value of 2.69642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3-[(pentanoylcarbamothioyl)amino]benzoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-3-[(pentanoylcarbamothioyl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-Methyl-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 4-Methyl-3-[(pentanoylcarbamothioyl)amino]benzoic acid?
The CAS number of 4-Methyl-3-[(pentanoylcarbamothioyl)amino]benzoic acid is 433697-84-8.
What is the molecular formula of 4-Methyl-3-[(pentanoylcarbamothioyl)amino]benzoic acid?
The molecular formula of 4-Methyl-3-[(pentanoylcarbamothioyl)amino]benzoic acid is C14H18N2O3S.
What is the molecular weight of 4-Methyl-3-[(pentanoylcarbamothioyl)amino]benzoic acid?
The molecular weight of 4-Methyl-3-[(pentanoylcarbamothioyl)amino]benzoic acid is 294.10 g/mol.
Where can I buy 4-Methyl-3-[(pentanoylcarbamothioyl)amino]benzoic acid?
You can request a quote for 4-Methyl-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 4-Methyl-3-[(pentanoylcarbamothioyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-[(pentanoylcarbamothioyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.