![4-Methyl-3-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoic acid structure](/static/products/4337/433706-29-7.webp)
4-Methyl-3-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoic acid
TL;DR: 4-Methyl-3-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoic acid (CAS 433706-29-7) is a chemical compound with molecular formula C20H16N2O3S and molecular weight 364.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid
Also Known As: 4-methyl-3-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid, 4-methyl-3-(naphthalene-1-carbonylthiocarbamoylamino)benzoic Acid, 4-Methyl-3-[3-(naphthalene-1-carbonyl)-thioureido]-benzoic acid, 4-methyl-3-{[(1-naphthoylamino)carbonothioyl]amino}benzoic acid, 4-methyl-3-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoic acid
| Molecular Formula | C20H16N2O3S |
|---|---|
| Molecular Weight | 364.09 g/mol |
| LogP | 3.97322 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.08817 |
| Heavy Atoms | 26 |
| Complexity | 1025.245 |
Chemical Identifiers
| CAS Number | 433706-29-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=CC3=CC=CC=C32 |
Product Overview
4-Methyl-3-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoic acid (CAS 433706-29-7), with molecular formula C20H16N2O3S and molecular weight 364.09 g/mol. IUPAC: 4-methyl-3-(naphthalene-1-carbonylcarbamothioylamino)benzoic acid.
Chemical Property Profile of 4-Methyl-3-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoic acid
Property Insights of 4-Methyl-3-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoic acid
The XLogP value of 3.97322 indicates that 4-Methyl-3-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-3-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoic acid. Following Lipinski's Rule of Five, 4-Methyl-3-{[(naphthalen-1-ylcarbonyl)carbamothioyl]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-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoic acid?
The CAS number of 4-Methyl-3-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoic acid is 433706-29-7.
What is the molecular formula of 4-Methyl-3-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoic acid?
The molecular formula of 4-Methyl-3-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoic acid is C20H16N2O3S.
What is the molecular weight of 4-Methyl-3-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoic acid?
The molecular weight of 4-Methyl-3-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoic acid is 364.09 g/mol.
Where can I buy 4-Methyl-3-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoic acid?
You can request a quote for 4-Methyl-3-{[(naphthalen-1-ylcarbonyl)carbamothioyl]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-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-{[(naphthalen-1-ylcarbonyl)carbamothioyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.