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Propyl 4-({[(3-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
TL;DR: Propyl 4-({[(3-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 364602-53-9) is a chemical compound with molecular formula C22H26N2O4S and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 4-[(3-butoxybenzoyl)carbamothioylamino]benzoate
Also Known As: propyl 4-(3-(3-butoxybenzoyl)thioureido)benzoate, propyl 4-[(3-butoxybenzoyl)carbamothioylamino]benzoate, propyl 4-({[(3-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
| Molecular Formula | C22H26N2O4S |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 4.5591 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 414.16132 |
| Heavy Atoms | 29 |
| Complexity | 836.9608 |
Chemical Identifiers
| CAS Number | 364602-53-9 |
|---|---|
| SMILES | CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCCC |
Product Overview
Propyl 4-({[(3-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 364602-53-9), with molecular formula C22H26N2O4S and molecular weight 414.16 g/mol. IUPAC: propyl 4-[(3-butoxybenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Propyl 4-({[(3-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
Property Insights of Propyl 4-({[(3-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
The XLogP value of 4.5591 indicates that Propyl 4-({[(3-butoxyphenyl)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 Propyl 4-({[(3-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, Propyl 4-({[(3-butoxyphenyl)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 Propyl 4-({[(3-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The CAS number of Propyl 4-({[(3-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is 364602-53-9.
What is the molecular formula of Propyl 4-({[(3-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular formula of Propyl 4-({[(3-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is C22H26N2O4S.
What is the molecular weight of Propyl 4-({[(3-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular weight of Propyl 4-({[(3-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is 414.16 g/mol.
Where can I buy Propyl 4-({[(3-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
You can request a quote for Propyl 4-({[(3-butoxyphenyl)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-({[(3-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 4-({[(3-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.