Methyl 1-(4-methyl-3-nitrobenzoyl)-1h-indole-3-carboxylate
TL;DR: Methyl 1-(4-methyl-3-nitrobenzoyl)-1h-indole-3-carboxylate (CAS 6065-95-8) is a chemical compound with molecular formula C18H14N2O5 and molecular weight 338.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(4-methyl-3-nitrobenzoyl)indole-3-carboxylate
Also Known As: methyl 1-(4-methyl-3-nitrobenzoyl)-1h-indole-3-carboxylate, BIM-0040843.P001, methyl 1-(4-methyl-3-nitrobenzoyl)indole-3-carboxylate, METHYL 1-(4-METHYL-3-NITRO-BENZOYL)INDOLE-3-CARBOXYLATE
| Molecular Formula | C18H14N2O5 |
|---|---|
| Molecular Weight | 338.09 g/mol |
| LogP | 3.33302 |
| Topological Polar Surface Area | 91.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.09027 |
| Heavy Atoms | 25 |
| Complexity | 1019.4784 |
Chemical Identifiers
| CAS Number | 6065-95-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C(=O)OC)[N+](=O)[O-] |
Product Overview
Methyl 1-(4-methyl-3-nitrobenzoyl)-1h-indole-3-carboxylate (CAS 6065-95-8), with molecular formula C18H14N2O5 and molecular weight 338.09 g/mol. IUPAC: methyl 1-(4-methyl-3-nitrobenzoyl)indole-3-carboxylate.
Chemical Property Profile of Methyl 1-(4-methyl-3-nitrobenzoyl)-1h-indole-3-carboxylate
Property Insights of Methyl 1-(4-methyl-3-nitrobenzoyl)-1h-indole-3-carboxylate
The XLogP value of 3.33302 indicates that Methyl 1-(4-methyl-3-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-methyl-3-nitrobenzoyl)-1h-indole-3-carboxylate. Following Lipinski's Rule of Five, Methyl 1-(4-methyl-3-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-methyl-3-nitrobenzoyl)-1h-indole-3-carboxylate?
The CAS number of Methyl 1-(4-methyl-3-nitrobenzoyl)-1h-indole-3-carboxylate is 6065-95-8.
What is the molecular formula of Methyl 1-(4-methyl-3-nitrobenzoyl)-1h-indole-3-carboxylate?
The molecular formula of Methyl 1-(4-methyl-3-nitrobenzoyl)-1h-indole-3-carboxylate is C18H14N2O5.
What is the molecular weight of Methyl 1-(4-methyl-3-nitrobenzoyl)-1h-indole-3-carboxylate?
The molecular weight of Methyl 1-(4-methyl-3-nitrobenzoyl)-1h-indole-3-carboxylate is 338.09 g/mol.
Where can I buy Methyl 1-(4-methyl-3-nitrobenzoyl)-1h-indole-3-carboxylate?
You can request a quote for Methyl 1-(4-methyl-3-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-methyl-3-nitrobenzoyl)-1h-indole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-(4-methyl-3-nitrobenzoyl)-1h-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.