Hexahydro-pyrrolizin-3-one
TL;DR: Hexahydro-pyrrolizin-3-one (CAS 126424-83-7) is a chemical compound with molecular formula C7H11NO and molecular weight 125.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,5,6,7,8-hexahydropyrrolizin-3-one
Also Known As: Hexahydro-pyrrolizin-3-one, pyrrolizidin-3-one, hexahydro-1H-pyrrolizin-3-one, Hexahydro-3H-pyrrolizin-3-one, Hexahydropyrrolizin-3-one
| Molecular Formula | C7H11NO |
|---|---|
| Molecular Weight | 125.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 125.08406 |
| Heavy Atoms | 9 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 126424-83-7 |
|---|---|
| SMILES | C1CC2CCC(=O)N2C1 |
| InChIKey | KSSXTPBFMJHPIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexahydro-pyrrolizin-3-one (CAS 126424-83-7), with molecular formula C7H11NO and molecular weight 125.08 g/mol. IUPAC: 1,2,5,6,7,8-hexahydropyrrolizin-3-one.
Chemical Property Profile of Hexahydro-pyrrolizin-3-one
Property Insights of Hexahydro-pyrrolizin-3-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydro-pyrrolizin-3-one. With a topological polar surface area (TPSA) of 20.3 Ų, Hexahydro-pyrrolizin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydro-pyrrolizin-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 Hexahydro-pyrrolizin-3-one?
The CAS number of Hexahydro-pyrrolizin-3-one is 126424-83-7.
What is the molecular formula of Hexahydro-pyrrolizin-3-one?
The molecular formula of Hexahydro-pyrrolizin-3-one is C7H11NO.
What is the molecular weight of Hexahydro-pyrrolizin-3-one?
The molecular weight of Hexahydro-pyrrolizin-3-one is 125.08 g/mol.
Where can I buy Hexahydro-pyrrolizin-3-one?
You can request a quote for Hexahydro-pyrrolizin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-pyrrolizin-3-one?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-pyrrolizin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.