2-Propenoic acid, 3-(1H-indol-3-yl)-2-nitro-, ethyl ester
TL;DR: 2-Propenoic acid, 3-(1H-indol-3-yl)-2-nitro-, ethyl ester (CAS 21735-28-4) is a chemical compound with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(1H-indol-3-yl)-2-nitroprop-2-enoate
Also Known As: ethyl 3-(1H-indol-3-yl)-2-nitroprop-2-enoate, ethyl beta-(3-indolyl)-alpha-nitroacrylate, 2-Propenoic acid, 3-(1H-indol-3-yl)-2-nitro-, ethyl ester, 3-indol-3-yl-2-nitro-acrylic acid ethyl ester, Ethyl 3-(1H-indol-3-yl)-2-nitro-prop-2-enoate
| Molecular Formula | C13H12N2O4 |
|---|---|
| Molecular Weight | 260.08 g/mol |
| LogP | 2.3486 |
| Topological Polar Surface Area | 85.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.0797 |
| Heavy Atoms | 19 |
| Complexity | 657.4619 |
Chemical Identifiers
| CAS Number | 21735-28-4 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CNC2=CC=CC=C21)[N+](=O)[O-] |
Product Overview
2-Propenoic acid, 3-(1H-indol-3-yl)-2-nitro-, ethyl ester (CAS 21735-28-4), with molecular formula C13H12N2O4 and molecular weight 260.08 g/mol. IUPAC: ethyl 3-(1H-indol-3-yl)-2-nitroprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 3-(1H-indol-3-yl)-2-nitro-, ethyl ester
Property Insights of 2-Propenoic acid, 3-(1H-indol-3-yl)-2-nitro-, ethyl ester
The XLogP value of 2.3486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 3-(1H-indol-3-yl)-2-nitro-, ethyl ester. The TPSA of 85.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 3-(1H-indol-3-yl)-2-nitro-, ethyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 3-(1H-indol-3-yl)-2-nitro-, ethyl ester has 1 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 2-Propenoic acid, 3-(1H-indol-3-yl)-2-nitro-, ethyl ester?
The CAS number of 2-Propenoic acid, 3-(1H-indol-3-yl)-2-nitro-, ethyl ester is 21735-28-4.
What is the molecular formula of 2-Propenoic acid, 3-(1H-indol-3-yl)-2-nitro-, ethyl ester?
The molecular formula of 2-Propenoic acid, 3-(1H-indol-3-yl)-2-nitro-, ethyl ester is C13H12N2O4.
What is the molecular weight of 2-Propenoic acid, 3-(1H-indol-3-yl)-2-nitro-, ethyl ester?
The molecular weight of 2-Propenoic acid, 3-(1H-indol-3-yl)-2-nitro-, ethyl ester is 260.08 g/mol.
Where can I buy 2-Propenoic acid, 3-(1H-indol-3-yl)-2-nitro-, ethyl ester?
You can request a quote for 2-Propenoic acid, 3-(1H-indol-3-yl)-2-nitro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 3-(1H-indol-3-yl)-2-nitro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 3-(1H-indol-3-yl)-2-nitro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.