5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid methyl ester
TL;DR: 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid methyl ester (CAS 385388-16-9) is a chemical compound with molecular formula C18H15N3O5 and molecular weight 353.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-methyl-3-[(2-nitrobenzoyl)amino]-1H-indole-2-carboxylate
Also Known As: methyl 5-methyl-3-[(2-nitrobenzoyl)amino]-1H-indole-2-carboxylate, 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid methyl ester, METHYL 5-METHYL-3-(2-NITROBENZAMIDO)-1H-INDOLE-2-CARBOXYLATE, methyl 5-methyl-3-{[(2-nitrophenyl)carbonyl]amino}-1H-indole-2-carboxylate
| Molecular Formula | C18H15N3O5 |
|---|---|
| Molecular Weight | 353.10 g/mol |
| LogP | 3.42342 |
| Topological Polar Surface Area | 114.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.10117 |
| Heavy Atoms | 26 |
| Complexity | 1038.4827 |
Chemical Identifiers
| CAS Number | 385388-16-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=C2NC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)OC |
Product Overview
5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid methyl ester (CAS 385388-16-9), with molecular formula C18H15N3O5 and molecular weight 353.10 g/mol. IUPAC: methyl 5-methyl-3-[(2-nitrobenzoyl)amino]-1H-indole-2-carboxylate.
Chemical Property Profile of 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid methyl ester
Property Insights of 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid methyl ester
The XLogP value of 3.42342 indicates that 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid methyl ester. Following Lipinski's Rule of Five, 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid methyl ester 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 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid methyl ester?
The CAS number of 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid methyl ester is 385388-16-9.
What is the molecular formula of 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid methyl ester?
The molecular formula of 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid methyl ester is C18H15N3O5.
What is the molecular weight of 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid methyl ester?
The molecular weight of 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid methyl ester is 353.10 g/mol.
Where can I buy 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid methyl ester?
You can request a quote for 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid methyl ester 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 methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-3-(2-nitro-benzoylamino)-1H-indole-2-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.