5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid
TL;DR: 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid (CAS 385419-01-2) is a chemical compound with molecular formula C17H13N3O5 and molecular weight 339.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-[(2-nitrobenzoyl)amino]-1H-indole-2-carboxylic acid
Also Known As: 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid, 5-methyl-3-[(2-nitrobenzoyl)amino]-1H-indole-2-carboxylic acid
| Molecular Formula | C17H13N3O5 |
|---|---|
| Molecular Weight | 339.09 g/mol |
| LogP | 3.33502 |
| Topological Polar Surface Area | 125.33 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.0855 |
| Heavy Atoms | 25 |
| Complexity | 1022.2953 |
Chemical Identifiers
| CAS Number | 385419-01-2 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=C2NC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)O |
Product Overview
5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid (CAS 385419-01-2), with molecular formula C17H13N3O5 and molecular weight 339.09 g/mol. IUPAC: 5-methyl-3-[(2-nitrobenzoyl)amino]-1H-indole-2-carboxylic acid.
Chemical Property Profile of 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid
Property Insights of 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid
The XLogP value of 3.33502 indicates that 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 125.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid. Following Lipinski's Rule of Five, 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid has 3 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 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid?
The CAS number of 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid is 385419-01-2.
What is the molecular formula of 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid?
The molecular formula of 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid is C17H13N3O5.
What is the molecular weight of 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid?
The molecular weight of 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid is 339.09 g/mol.
Where can I buy 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid?
You can request a quote for 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.