Indole-1-carboxylic acid, 4-nitro-, methyl ester
TL;DR: Indole-1-carboxylic acid, 4-nitro-, methyl ester (CAS 81038-41-7) is a chemical compound with molecular formula C10H8N2O4 and molecular weight 220.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-nitroindole-1-carboxylate
Also Known As: 1-methoxycarbonyl-4-nitroindole, methyl 4-nitroindole-1-carboxylate, Methyl 4-nitro-1H-indole-1-carboxylate, Methyl 4-nitro-1H-indole-1-carboxylate #, Indole-1-carboxylic acid, 4-nitro-, methyl ester
| Molecular Formula | C10H8N2O4 |
|---|---|
| Molecular Weight | 220.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.0484 |
| Heavy Atoms | 16 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 81038-41-7 |
|---|---|
| SMILES | COC(=O)N1C=CC2=C1C=CC=C2[N+](=O)[O-] |
| InChIKey | GWKMQYFKOVPNJF-UHFFFAOYSA-N |
Product Overview
Indole-1-carboxylic acid, 4-nitro-, methyl ester (CAS 81038-41-7), with molecular formula C10H8N2O4 and molecular weight 220.05 g/mol. IUPAC: methyl 4-nitroindole-1-carboxylate.
Chemical Property Profile of Indole-1-carboxylic acid, 4-nitro-, methyl ester
Property Insights of Indole-1-carboxylic acid, 4-nitro-, methyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indole-1-carboxylic acid, 4-nitro-, methyl ester. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Indole-1-carboxylic acid, 4-nitro-, methyl ester. Following Lipinski's Rule of Five, Indole-1-carboxylic acid, 4-nitro-, methyl ester has 0 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 Indole-1-carboxylic acid, 4-nitro-, methyl ester?
The CAS number of Indole-1-carboxylic acid, 4-nitro-, methyl ester is 81038-41-7.
What is the molecular formula of Indole-1-carboxylic acid, 4-nitro-, methyl ester?
The molecular formula of Indole-1-carboxylic acid, 4-nitro-, methyl ester is C10H8N2O4.
What is the molecular weight of Indole-1-carboxylic acid, 4-nitro-, methyl ester?
The molecular weight of Indole-1-carboxylic acid, 4-nitro-, methyl ester is 220.05 g/mol.
Where can I buy Indole-1-carboxylic acid, 4-nitro-, methyl ester?
You can request a quote for Indole-1-carboxylic acid, 4-nitro-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indole-1-carboxylic acid, 4-nitro-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Indole-1-carboxylic acid, 4-nitro-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.