![Ethyl 4-[({[4-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoate structure](/static/products/3554/355430-96-5.webp)
Ethyl 4-[({[4-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoate
TL;DR: Ethyl 4-[({[4-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoate (CAS 355430-96-5) is a chemical compound with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate
Also Known As: ethyl 4-(3-(4-isopropoxybenzoyl)thioureido)benzoate, ethyl 4-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate, ethyl 4-[({[4-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoate, ethyl 4-({[(4-isopropoxybenzoyl)amino]carbothioyl}amino)benzoate, ethyl 4-[({[4-(methylethoxy)phenyl]carbonylamino}thioxomethyl)amino]benzoate
| Molecular Formula | C20H22N2O4S |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 3.7773 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.13004 |
| Heavy Atoms | 27 |
| Complexity | 801.7363 |
Chemical Identifiers
| CAS Number | 355430-96-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)OC(C)C |
Product Overview
Ethyl 4-[({[4-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoate (CAS 355430-96-5), with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol. IUPAC: ethyl 4-[(4-propan-2-yloxybenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Ethyl 4-[({[4-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoate
Property Insights of Ethyl 4-[({[4-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoate
The XLogP value of 3.7773 indicates that Ethyl 4-[({[4-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[({[4-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[({[4-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoate has 2 hydrogen bond donor(s) and 5 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 Ethyl 4-[({[4-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoate?
The CAS number of Ethyl 4-[({[4-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoate is 355430-96-5.
What is the molecular formula of Ethyl 4-[({[4-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoate?
The molecular formula of Ethyl 4-[({[4-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoate is C20H22N2O4S.
What is the molecular weight of Ethyl 4-[({[4-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoate?
The molecular weight of Ethyl 4-[({[4-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoate is 386.13 g/mol.
Where can I buy Ethyl 4-[({[4-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoate?
You can request a quote for Ethyl 4-[({[4-(propan-2-yloxy)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 Ethyl 4-[({[4-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[({[4-(propan-2-yloxy)phenyl]carbonyl}carbamothioyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.