![3-[(4-Propan-2-ylbenzoyl)carbamothioylamino]benzoic acid structure](/static/products/4339/433952-68-2.webp)
3-[(4-Propan-2-ylbenzoyl)carbamothioylamino]benzoic acid
TL;DR: 3-[(4-Propan-2-ylbenzoyl)carbamothioylamino]benzoic acid (CAS 433952-68-2) is a chemical compound with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzoic acid
Also Known As: 3-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzoic acid, 3-[[[[4-(1-Methylethyl)benzoyl]amino]thioxomethyl]amino]benzoic acid, 3-({[(4-isopropylbenzoyl)amino]carbonothioyl}amino)benzoic acid, 3-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]benzoic acid, 3-[(4-propan-2-ylbenzoyl)thiocarbamoylamino]benzoic Acid
| Molecular Formula | C18H18N2O3S |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 3.635 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.10382 |
| Heavy Atoms | 24 |
| Complexity | 770.08826 |
Chemical Identifiers
| CAS Number | 433952-68-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)O |
Product Overview
3-[(4-Propan-2-ylbenzoyl)carbamothioylamino]benzoic acid (CAS 433952-68-2), with molecular formula C18H18N2O3S and molecular weight 342.10 g/mol. IUPAC: 3-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzoic acid.
Chemical Property Profile of 3-[(4-Propan-2-ylbenzoyl)carbamothioylamino]benzoic acid
Property Insights of 3-[(4-Propan-2-ylbenzoyl)carbamothioylamino]benzoic acid
The XLogP value of 3.635 indicates that 3-[(4-Propan-2-ylbenzoyl)carbamothioylamino]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 3-[(4-Propan-2-ylbenzoyl)carbamothioylamino]benzoic acid. Following Lipinski's Rule of Five, 3-[(4-Propan-2-ylbenzoyl)carbamothioylamino]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-[(4-Propan-2-ylbenzoyl)carbamothioylamino]benzoic acid?
The CAS number of 3-[(4-Propan-2-ylbenzoyl)carbamothioylamino]benzoic acid is 433952-68-2.
What is the molecular formula of 3-[(4-Propan-2-ylbenzoyl)carbamothioylamino]benzoic acid?
The molecular formula of 3-[(4-Propan-2-ylbenzoyl)carbamothioylamino]benzoic acid is C18H18N2O3S.
What is the molecular weight of 3-[(4-Propan-2-ylbenzoyl)carbamothioylamino]benzoic acid?
The molecular weight of 3-[(4-Propan-2-ylbenzoyl)carbamothioylamino]benzoic acid is 342.10 g/mol.
Where can I buy 3-[(4-Propan-2-ylbenzoyl)carbamothioylamino]benzoic acid?
You can request a quote for 3-[(4-Propan-2-ylbenzoyl)carbamothioylamino]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-Propan-2-ylbenzoyl)carbamothioylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Propan-2-ylbenzoyl)carbamothioylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.