2-ethyloctahydro-1H-isoindol-1-one
TL;DR: 2-ethyloctahydro-1H-isoindol-1-one (CAS 56593-87-4) is a chemical compound with molecular formula C10H17NO and molecular weight 167.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-3a,4,5,6,7,7a-hexahydro-3H-isoindol-1-one
Also Known As: 2-Ethyloctahydro-1H-isoindol-1-one, 2-ethyl-octahydro-1H-isoindol-1-one, 2-ethyl-3a,4,5,6,7,7a-hexahydro-3H-isoindol-1-one, 260-274-4, EINECS 260-274-4
| Molecular Formula | C10H17NO |
|---|---|
| Molecular Weight | 167.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.13101 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 56593-87-4 |
|---|---|
| SMILES | CCN1CC2CCCCC2C1=O |
| InChIKey | CXNXIANFHSQCEO-UHFFFAOYSA-N |
Product Overview
2-ethyloctahydro-1H-isoindol-1-one (CAS 56593-87-4), with molecular formula C10H17NO and molecular weight 167.13 g/mol. IUPAC: 2-ethyl-3a,4,5,6,7,7a-hexahydro-3H-isoindol-1-one.
Chemical Property Profile of 2-ethyloctahydro-1H-isoindol-1-one
Property Insights of 2-ethyloctahydro-1H-isoindol-1-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-ethyloctahydro-1H-isoindol-1-one. With a topological polar surface area (TPSA) of 20.3 Ų, 2-ethyloctahydro-1H-isoindol-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-ethyloctahydro-1H-isoindol-1-one has 0 hydrogen bond donor(s) and 1 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-ethyloctahydro-1H-isoindol-1-one?
The CAS number of 2-ethyloctahydro-1H-isoindol-1-one is 56593-87-4.
What is the molecular formula of 2-ethyloctahydro-1H-isoindol-1-one?
The molecular formula of 2-ethyloctahydro-1H-isoindol-1-one is C10H17NO.
What is the molecular weight of 2-ethyloctahydro-1H-isoindol-1-one?
The molecular weight of 2-ethyloctahydro-1H-isoindol-1-one is 167.13 g/mol.
Where can I buy 2-ethyloctahydro-1H-isoindol-1-one?
You can request a quote for 2-ethyloctahydro-1H-isoindol-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-ethyloctahydro-1H-isoindol-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-ethyloctahydro-1H-isoindol-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.