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Methyl 4-({[(4-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
TL;DR: Methyl 4-({[(4-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 428495-65-2) 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.
methyl 4-[(4-butoxybenzoyl)carbamothioylamino]benzoate
Also Known As: methyl 4-(3-(4-butoxybenzoyl)thioureido)benzoate, methyl 4-[(4-butoxybenzoyl)carbamothioylamino]benzoate, methyl 4-({[(4-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
| Molecular Formula | C20H22N2O4S |
|---|---|
| Molecular Weight | 386.13 g/mol |
| LogP | 3.7789 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.13004 |
| Heavy Atoms | 27 |
| Complexity | 788.6339 |
Chemical Identifiers
| CAS Number | 428495-65-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC |
Product Overview
Methyl 4-({[(4-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate (CAS 428495-65-2), with molecular formula C20H22N2O4S and molecular weight 386.13 g/mol. IUPAC: methyl 4-[(4-butoxybenzoyl)carbamothioylamino]benzoate.
Chemical Property Profile of Methyl 4-({[(4-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
Property Insights of Methyl 4-({[(4-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate
The XLogP value of 3.7789 indicates that Methyl 4-({[(4-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 Methyl 4-({[(4-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate. Following Lipinski's Rule of Five, Methyl 4-({[(4-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 Methyl 4-({[(4-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The CAS number of Methyl 4-({[(4-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is 428495-65-2.
What is the molecular formula of Methyl 4-({[(4-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular formula of Methyl 4-({[(4-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is C20H22N2O4S.
What is the molecular weight of Methyl 4-({[(4-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
The molecular weight of Methyl 4-({[(4-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate is 386.13 g/mol.
Where can I buy Methyl 4-({[(4-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
You can request a quote for Methyl 4-({[(4-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 Methyl 4-({[(4-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-({[(4-butoxyphenyl)carbonyl]carbamothioyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.