butyl 4-(2-(2-methyl-1H-indol-3-yl)-2-oxoacetamido)benzoate
TL;DR: butyl 4-(2-(2-methyl-1H-indol-3-yl)-2-oxoacetamido)benzoate (CAS 852369-35-8) is a chemical compound with molecular formula C22H22N2O4 and molecular weight 378.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-[[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate
Also Known As: butyl 4-(2-(2-methyl-1H-indol-3-yl)-2-oxoacetamido)benzoate, butyl 4-[2-(2-methyl-1H-indol-3-yl)-2-oxoacetamido]benzoate, F0675-0386, butyl 4-[[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate
| Molecular Formula | C22H22N2O4 |
|---|---|
| Molecular Weight | 378.16 g/mol |
| LogP | 4.25462 |
| Topological Polar Surface Area | 88.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 378.15796 |
| Heavy Atoms | 28 |
| Complexity | 1018.6977 |
Chemical Identifiers
| CAS Number | 852369-35-8 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(=O)C2=C(NC3=CC=CC=C32)C |
Product Overview
butyl 4-(2-(2-methyl-1H-indol-3-yl)-2-oxoacetamido)benzoate (CAS 852369-35-8), with molecular formula C22H22N2O4 and molecular weight 378.16 g/mol. IUPAC: butyl 4-[[2-(2-methyl-1H-indol-3-yl)-2-oxoacetyl]amino]benzoate.
Chemical Property Profile of butyl 4-(2-(2-methyl-1H-indol-3-yl)-2-oxoacetamido)benzoate
Property Insights of butyl 4-(2-(2-methyl-1H-indol-3-yl)-2-oxoacetamido)benzoate
The XLogP value of 4.25462 indicates that butyl 4-(2-(2-methyl-1H-indol-3-yl)-2-oxoacetamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.26 Ų falls within the moderate polarity range, balancing permeability and solubility for butyl 4-(2-(2-methyl-1H-indol-3-yl)-2-oxoacetamido)benzoate. Following Lipinski's Rule of Five, butyl 4-(2-(2-methyl-1H-indol-3-yl)-2-oxoacetamido)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-(2-(2-methyl-1H-indol-3-yl)-2-oxoacetamido)benzoate?
The CAS number of butyl 4-(2-(2-methyl-1H-indol-3-yl)-2-oxoacetamido)benzoate is 852369-35-8.
What is the molecular formula of butyl 4-(2-(2-methyl-1H-indol-3-yl)-2-oxoacetamido)benzoate?
The molecular formula of butyl 4-(2-(2-methyl-1H-indol-3-yl)-2-oxoacetamido)benzoate is C22H22N2O4.
What is the molecular weight of butyl 4-(2-(2-methyl-1H-indol-3-yl)-2-oxoacetamido)benzoate?
The molecular weight of butyl 4-(2-(2-methyl-1H-indol-3-yl)-2-oxoacetamido)benzoate is 378.16 g/mol.
Where can I buy butyl 4-(2-(2-methyl-1H-indol-3-yl)-2-oxoacetamido)benzoate?
You can request a quote for butyl 4-(2-(2-methyl-1H-indol-3-yl)-2-oxoacetamido)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-(2-(2-methyl-1H-indol-3-yl)-2-oxoacetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for butyl 4-(2-(2-methyl-1H-indol-3-yl)-2-oxoacetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.