![3-[(4-Fluorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid structure](/static/products/4343/434302-92-8.webp)
3-[(4-Fluorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid
TL;DR: 3-[(4-Fluorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid (CAS 434302-92-8) is a chemical compound with molecular formula C16H13FN2O4S and molecular weight 348.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid
Also Known As: 3-[(4-fluorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid, 3-({[(4-fluorobenzoyl)amino]carbothioyl}amino)-4-methoxybenzoic acid, AP-970/41523044, 3-[3-(4-Fluoro-benzoyl)-thioureido]-4-methoxy-benzoic acid, 3-(3-(4-fluorobenzoyl)thioureido)-4-methoxybenzoic acid
| Molecular Formula | C16H13FN2O4S |
|---|---|
| Molecular Weight | 348.06 g/mol |
| LogP | 2.6593 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.058 |
| Heavy Atoms | 24 |
| Complexity | 793.1645 |
Chemical Identifiers
| CAS Number | 434302-92-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(C=C2)F |
Product Overview
3-[(4-Fluorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid (CAS 434302-92-8), with molecular formula C16H13FN2O4S and molecular weight 348.06 g/mol. IUPAC: 3-[(4-fluorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid.
Chemical Property Profile of 3-[(4-Fluorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid
Property Insights of 3-[(4-Fluorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid
The XLogP value of 2.6593 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Fluorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Fluorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid. Following Lipinski's Rule of Five, 3-[(4-Fluorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid has 3 hydrogen bond donor(s) and 4 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-[(4-Fluorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid?
The CAS number of 3-[(4-Fluorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid is 434302-92-8.
What is the molecular formula of 3-[(4-Fluorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid?
The molecular formula of 3-[(4-Fluorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid is C16H13FN2O4S.
What is the molecular weight of 3-[(4-Fluorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid?
The molecular weight of 3-[(4-Fluorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid is 348.06 g/mol.
Where can I buy 3-[(4-Fluorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid?
You can request a quote for 3-[(4-Fluorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Fluorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Fluorobenzoyl)carbamothioylamino]-4-methoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.