![Propyl 4-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]benzoate structure](/static/products/4288/428850-38-8.webp)
Propyl 4-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]benzoate
TL;DR: Propyl 4-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]benzoate (CAS 428850-38-8) is a chemical compound with molecular formula C21H24N2O3S and molecular weight 384.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzoate
Also Known As: propyl 4-(3-(4-isopropylbenzoyl)thioureido)benzoate, propyl 4-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzoate, propyl 4-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]benzoate
| Molecular Formula | C21H24N2O3S |
|---|---|
| Molecular Weight | 384.15 g/mol |
| LogP | 4.5036 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.15076 |
| Heavy Atoms | 27 |
| Complexity | 799.18134 |
Chemical Identifiers
| CAS Number | 428850-38-8 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(C)C |
Product Overview
Propyl 4-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]benzoate (CAS 428850-38-8), with molecular formula C21H24N2O3S and molecular weight 384.15 g/mol. IUPAC: propyl 4-[(4-propan-2-ylbenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Propyl 4-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]benzoate
Property Insights of Propyl 4-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]benzoate
The XLogP value of 4.5036 indicates that Propyl 4-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 4-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]benzoate. Following Lipinski's Rule of Five, Propyl 4-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]benzoate has 2 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 Propyl 4-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]benzoate?
The CAS number of Propyl 4-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]benzoate is 428850-38-8.
What is the molecular formula of Propyl 4-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]benzoate?
The molecular formula of Propyl 4-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]benzoate is C21H24N2O3S.
What is the molecular weight of Propyl 4-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]benzoate?
The molecular weight of Propyl 4-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]benzoate is 384.15 g/mol.
Where can I buy Propyl 4-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]benzoate?
You can request a quote for Propyl 4-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 4-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 4-[({[4-(propan-2-yl)phenyl]carbonyl}carbamothioyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.