![Butyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate structure](/static/products/4288/428860-70-2.webp)
Butyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate
TL;DR: Butyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate (CAS 428860-70-2) is a chemical compound with molecular formula C20H22N2O3S and molecular weight 370.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[(2-phenylacetyl)carbamothioylamino]benzoate
Also Known As: butyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate, butyl 4-(3-(2-phenylacetyl)thioureido)benzoate, butyl 4-[(2-phenylacetyl)carbamothioylamino]benzoate
| Molecular Formula | C20H22N2O3S |
|---|---|
| Molecular Weight | 370.14 g/mol |
| LogP | 3.6992 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 370.1351 |
| Heavy Atoms | 26 |
| Complexity | 745.41144 |
Chemical Identifiers
| CAS Number | 428860-70-2 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CC2=CC=CC=C2 |
Product Overview
Butyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate (CAS 428860-70-2), with molecular formula C20H22N2O3S and molecular weight 370.14 g/mol. IUPAC: butyl 4-[(2-phenylacetyl)carbamothioylamino]benzoate.
Chemical Property Profile of Butyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate
Property Insights of Butyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate
The XLogP value of 3.6992 indicates that Butyl 4-{[(phenylacetyl)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 Butyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate. Following Lipinski's Rule of Five, Butyl 4-{[(phenylacetyl)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 Butyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate?
The CAS number of Butyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate is 428860-70-2.
What is the molecular formula of Butyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate?
The molecular formula of Butyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate is C20H22N2O3S.
What is the molecular weight of Butyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate?
The molecular weight of Butyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate is 370.14 g/mol.
Where can I buy Butyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate?
You can request a quote for Butyl 4-{[(phenylacetyl)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 Butyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-{[(phenylacetyl)carbamothioyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.