![Butyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate structure](/static/products/4296/429635-72-3.webp)
Butyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
TL;DR: Butyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 429635-72-3) is a chemical compound with molecular formula C21H24N2O5S and molecular weight 416.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[(3,5-dimethoxybenzoyl)carbamothioylamino]benzoate
Also Known As: AB00111039-01, butyl 4-(3-(3,5-dimethoxybenzoyl)thioureido)benzoate, butyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate, butyl 4-[(3,5-dimethoxybenzoyl)carbamothioylamino]benzoate
| Molecular Formula | C21H24N2O5S |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 3.7875 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.1406 |
| Heavy Atoms | 29 |
| Complexity | 845.62524 |
Chemical Identifiers
| CAS Number | 429635-72-3 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)OC)OC |
Product Overview
Butyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 429635-72-3), with molecular formula C21H24N2O5S and molecular weight 416.14 g/mol. IUPAC: butyl 4-[(3,5-dimethoxybenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Butyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
Property Insights of Butyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
The XLogP value of 3.7875 indicates that Butyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, Butyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate has 2 hydrogen bond donor(s) and 6 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-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The CAS number of Butyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is 429635-72-3.
What is the molecular formula of Butyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular formula of Butyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is C21H24N2O5S.
What is the molecular weight of Butyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular weight of Butyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is 416.14 g/mol.
Where can I buy Butyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
You can request a quote for Butyl 4-({[(3,5-dimethoxyphenyl)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 Butyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-({[(3,5-dimethoxyphenyl)carbonyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.