3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans-
TL;DR: 3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans- (CAS 61846-07-9) is a chemical compound with molecular formula C13H15NO2 and molecular weight 217.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,8S)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
Also Known As: 3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans-, trans-Hexahydro-1-hydroxy-1-phenyl-3H-pyrrolizin-3-one, (1S,7aS)-1-Hydroxy-1-phenylhexahydro-3H-pyrrolizin-3-one, 3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, cis-, (1S,7aS)-1-hydroxy-1-phenyl-hexahydro-1H-pyrrolizin-3-one
| Molecular Formula | C13H15NO2 |
|---|---|
| Molecular Weight | 217.11 g/mol |
| LogP | 1.2689 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.11028 |
| Heavy Atoms | 16 |
| Complexity | 417.2006 |
Chemical Identifiers
| CAS Number | 61846-07-9 |
|---|---|
| SMILES | C1C[C@H]2[C@](CC(=O)N2C1)(C3=CC=CC=C3)O |
Product Overview
3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans- (CAS 61846-07-9), with molecular formula C13H15NO2 and molecular weight 217.11 g/mol. IUPAC: (1S,8S)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one.
Chemical Property Profile of 3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans-
Property Insights of 3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans-
The XLogP value of 1.2689 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans-. With a topological polar surface area (TPSA) of 40.54 Ų, 3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans- 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 3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans-?
The CAS number of 3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans- is 61846-07-9.
What is the molecular formula of 3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans-?
The molecular formula of 3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans- is C13H15NO2.
What is the molecular weight of 3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans-?
The molecular weight of 3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans- is 217.11 g/mol.
Where can I buy 3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans-?
You can request a quote for 3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans-?
Yes, KEHONG BIO provides custom synthesis services for 3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.