3-(2-Nitroethyl)-1h-indole
TL;DR: 3-(2-Nitroethyl)-1h-indole (CAS 3672-51-3) is a chemical compound with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-nitroethyl)-1H-indole
Also Known As: 3-(2-nitroethyl)-1h-indole, Elacridar, 3-(2-NITROETHYL)INDOLE, NCIOpen2_000170, 1H-Indole, 3-(2-nitroethyl)-
| Molecular Formula | C10H10N2O2 |
|---|---|
| Molecular Weight | 190.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.07423 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 3672-51-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CC[N+](=O)[O-] |
| InChIKey | WPXDYLYFORNDRP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Nitroethyl)-1h-indole (CAS 3672-51-3), with molecular formula C10H10N2O2 and molecular weight 190.07 g/mol. IUPAC: 3-(2-nitroethyl)-1H-indole.
Chemical Property Profile of 3-(2-Nitroethyl)-1h-indole
Property Insights of 3-(2-Nitroethyl)-1h-indole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Nitroethyl)-1h-indole. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Nitroethyl)-1h-indole. Following Lipinski's Rule of Five, 3-(2-Nitroethyl)-1h-indole has 1 hydrogen bond donor(s) and 2 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 3-(2-Nitroethyl)-1h-indole?
The CAS number of 3-(2-Nitroethyl)-1h-indole is 3672-51-3.
What is the molecular formula of 3-(2-Nitroethyl)-1h-indole?
The molecular formula of 3-(2-Nitroethyl)-1h-indole is C10H10N2O2.
What is the molecular weight of 3-(2-Nitroethyl)-1h-indole?
The molecular weight of 3-(2-Nitroethyl)-1h-indole is 190.07 g/mol.
Where can I buy 3-(2-Nitroethyl)-1h-indole?
You can request a quote for 3-(2-Nitroethyl)-1h-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Nitroethyl)-1h-indole?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Nitroethyl)-1h-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.