2-ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole
TL;DR: 2-ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole (CAS 56593-86-3) is a chemical compound with molecular formula C11H18N2O2 and molecular weight 210.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole
Also Known As: 2-Ethyloctahydro-1-(nitromethylene)-1H-isoindole, 1H-Isoindole,2-ethyloctahydro-1-(nitromethylene)-, 2-ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole
| Molecular Formula | C11H18N2O2 |
|---|---|
| Molecular Weight | 210.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 210.13683 |
| Heavy Atoms | 15 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 56593-86-3 |
|---|---|
| SMILES | CCN1CC2CCCCC2C1=C[N+](=O)[O-] |
| InChIKey | NGFPWRMWKFFWRD-UHFFFAOYSA-N |
Product Overview
2-ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole (CAS 56593-86-3), with molecular formula C11H18N2O2 and molecular weight 210.14 g/mol. IUPAC: 2-ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole.
Chemical Property Profile of 2-ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole
Property Insights of 2-ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole. With a topological polar surface area (TPSA) of 49.1 Ų, 2-ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole has 0 hydrogen bond donor(s) and 3 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-ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole?
The CAS number of 2-ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole is 56593-86-3.
What is the molecular formula of 2-ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole?
The molecular formula of 2-ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole is C11H18N2O2.
What is the molecular weight of 2-ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole?
The molecular weight of 2-ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole is 210.14 g/mol.
Where can I buy 2-ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole?
You can request a quote for 2-ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole?
Yes, KEHONG BIO provides custom synthesis services for 2-ethyl-3-(nitromethylidene)-3a,4,5,6,7,7a-hexahydro-1H-isoindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.