![butyl 4-({[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)benzoate structure](/static/products/4007/400751-61-3.webp)
butyl 4-({[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)benzoate
TL;DR: butyl 4-({[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)benzoate (CAS 400751-61-3) is a chemical compound with molecular formula C22H23N3O3S and molecular weight 409.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 00537220, Butyl 4-[[2-[(5-phenyl-1H-imidazol-2-yl)thio]acetyl]amino]benzoate, butyl 4-({[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)benzoate, butyl 4-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate, butyl 4-({[(4-phenyl-1H-imidazol-2-yl)thio]acetyl}amino)benzoate
| Molecular Formula | C22H23N3O3S |
|---|---|
| Molecular Weight | 409.15 g/mol |
| LogP | 4.7644 |
| Topological Polar Surface Area | 84.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 409.14603 |
| Heavy Atoms | 29 |
| Complexity | 939.45105 |
Chemical Identifiers
| CAS Number | 400751-61-3 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=C(N2)C3=CC=CC=C3 |
Product Overview
butyl 4-({[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)benzoate (CAS 400751-61-3), with molecular formula C22H23N3O3S and molecular weight 409.15 g/mol. IUPAC: butyl 4-[[2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of butyl 4-({[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)benzoate
Property Insights of butyl 4-({[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 4.7644 indicates that butyl 4-({[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.08 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl 4-({[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, butyl 4-({[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl}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 butyl 4-({[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)benzoate?
The CAS number of butyl 4-({[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)benzoate is 400751-61-3.
What is the molecular formula of butyl 4-({[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of butyl 4-({[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)benzoate is C22H23N3O3S.
What is the molecular weight of butyl 4-({[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of butyl 4-({[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)benzoate is 409.15 g/mol.
Where can I buy butyl 4-({[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for butyl 4-({[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl}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-({[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 4-({[(4-phenyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.