Methyl 1-(4-nitrobenzoyl)-1H-indole-3-carboxylate
TL;DR: Methyl 1-(4-nitrobenzoyl)-1H-indole-3-carboxylate (CAS 393124-09-9) is a chemical compound with molecular formula C17H12N2O5 and molecular weight 324.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-nitrobenzoyl)indole-3-carboxylate
Also Known As: Methyl 1-(4-nitrobenzoyl)-1H-indole-3-carboxylate, methyl 1-(4-nitrobenzoyl)indole-3-carboxylate, AB00110547-01, Methyl1-(4-nitrobenzoyl)-1H-indole-3-carboxylate, methyl 1-[(4-nitrophenyl)carbonyl]indole-3-carboxylate
| Molecular Formula | C17H12N2O5 |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 3.0246 |
| Topological Polar Surface Area | 91.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.07462 |
| Heavy Atoms | 24 |
| Complexity | 956.7763 |
Chemical Identifiers
| CAS Number | 393124-09-9 |
|---|---|
| SMILES | COC(=O)C1=CN(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
Methyl 1-(4-nitrobenzoyl)-1H-indole-3-carboxylate (CAS 393124-09-9), with molecular formula C17H12N2O5 and molecular weight 324.07 g/mol. IUPAC: methyl 1-(4-nitrobenzoyl)indole-3-carboxylate.
Chemical Property Profile of Methyl 1-(4-nitrobenzoyl)-1H-indole-3-carboxylate
Property Insights of Methyl 1-(4-nitrobenzoyl)-1H-indole-3-carboxylate
The XLogP value of 3.0246 indicates that Methyl 1-(4-nitrobenzoyl)-1H-indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 1-(4-nitrobenzoyl)-1H-indole-3-carboxylate. Following Lipinski's Rule of Five, Methyl 1-(4-nitrobenzoyl)-1H-indole-3-carboxylate has 0 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 1-(4-nitrobenzoyl)-1H-indole-3-carboxylate?
The CAS number of Methyl 1-(4-nitrobenzoyl)-1H-indole-3-carboxylate is 393124-09-9.
What is the molecular formula of Methyl 1-(4-nitrobenzoyl)-1H-indole-3-carboxylate?
The molecular formula of Methyl 1-(4-nitrobenzoyl)-1H-indole-3-carboxylate is C17H12N2O5.
What is the molecular weight of Methyl 1-(4-nitrobenzoyl)-1H-indole-3-carboxylate?
The molecular weight of Methyl 1-(4-nitrobenzoyl)-1H-indole-3-carboxylate is 324.07 g/mol.
Where can I buy Methyl 1-(4-nitrobenzoyl)-1H-indole-3-carboxylate?
You can request a quote for Methyl 1-(4-nitrobenzoyl)-1H-indole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-(4-nitrobenzoyl)-1H-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(4-nitrobenzoyl)-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.