Octahydroindolizin-3-one
TL;DR: Octahydroindolizin-3-one (CAS 142796-65-4) is a chemical compound with molecular formula C8H13NO and molecular weight 139.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
Also Known As: octahydroindolizin-3-one, 3-oxoindolizidine, Hexahydroindolizin-3(2H)-one, Octaahydro-indolizin-3-one, Octahydroindolizine-3-one
| Molecular Formula | C8H13NO |
|---|---|
| Molecular Weight | 139.10 g/mol |
| LogP | 1.1613 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 139.09972 |
| Heavy Atoms | 10 |
| Complexity | 155.33658 |
Chemical Identifiers
| CAS Number | 142796-65-4 |
|---|---|
| SMILES | C1CCN2C(C1)CCC2=O |
Product Overview
Octahydroindolizin-3-one (CAS 142796-65-4), with molecular formula C8H13NO and molecular weight 139.10 g/mol. IUPAC: 2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
Chemical Property Profile of Octahydroindolizin-3-one
Property Insights of Octahydroindolizin-3-one
The XLogP value of 1.1613 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octahydroindolizin-3-one. With a topological polar surface area (TPSA) of 20.31 Ų, Octahydroindolizin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octahydroindolizin-3-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 Octahydroindolizin-3-one?
The CAS number of Octahydroindolizin-3-one is 142796-65-4.
What is the molecular formula of Octahydroindolizin-3-one?
The molecular formula of Octahydroindolizin-3-one is C8H13NO.
What is the molecular weight of Octahydroindolizin-3-one?
The molecular weight of Octahydroindolizin-3-one is 139.10 g/mol.
Where can I buy Octahydroindolizin-3-one?
You can request a quote for Octahydroindolizin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octahydroindolizin-3-one?
Yes, KEHONG BIO provides custom synthesis services for Octahydroindolizin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.