![3-[[[[4-(Hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid structure](/static/products/5324/532415-68-2.webp)
3-[[[[4-(Hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid
TL;DR: 3-[[[[4-(Hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid (CAS 532415-68-2) is a chemical compound with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-hexoxybenzoyl)carbamothioylamino]benzoic acid
Also Known As: 3-[(4-hexoxybenzoyl)carbamothioylamino]benzoic acid, 3-[(4-hexoxybenzoyl)thiocarbamoylamino]benzoic Acid, 3-[[[[4-(Hexyloxy)benzoyl ]amino]thioxomethyl ]amino]-benzoic acid, 3-[[[[4-(hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid
| Molecular Formula | C21H24N2O4S |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 4.4707 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 400.1457 |
| Heavy Atoms | 28 |
| Complexity | 821.4102 |
Chemical Identifiers
| CAS Number | 532415-68-2 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O |
Product Overview
3-[[[[4-(Hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid (CAS 532415-68-2), with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol. IUPAC: 3-[(4-hexoxybenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-[[[[4-(Hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid
Property Insights of 3-[[[[4-(Hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid
The XLogP value of 4.4707 indicates that 3-[[[[4-(Hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[[[4-(Hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid. Following Lipinski's Rule of Five, 3-[[[[4-(Hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic 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-(Hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid?
The CAS number of 3-[[[[4-(Hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid is 532415-68-2.
What is the molecular formula of 3-[[[[4-(Hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid?
The molecular formula of 3-[[[[4-(Hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid is C21H24N2O4S.
What is the molecular weight of 3-[[[[4-(Hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid?
The molecular weight of 3-[[[[4-(Hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid is 400.15 g/mol.
Where can I buy 3-[[[[4-(Hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid?
You can request a quote for 3-[[[[4-(Hexyloxy)benzoyl]amino]thioxomethyl]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-[[[[4-(Hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[[[4-(Hexyloxy)benzoyl]amino]thioxomethyl]amino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.