Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile
TL;DR: Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile (CAS 402846-46-2) is a chemical compound with molecular formula C14H16N2O and molecular weight 228.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile
Also Known As: (-)-2-Cyano-6-phenyloxazolopiperidine, Hexahydro-3-phenyl-5H-oxazolo[3,2-a]pyridine-5-carbonitrile, (3S,5R,8aS)-(+)-Hexahydro-3-phenyl-5H-oxazolo[3,2-a]pyridine-5-carbonitrile, (2S,6R,9R)-9-phenyl-7-oxa-1-azabicyclo[4.3.0]nonane-2-carbonitrile, (3S,5R,8aS)-3-Phenylhexahydro-2H-oxazolo[3,2-a]pyridine-5-carbonitrile
| Molecular Formula | C14H16N2O |
|---|---|
| Molecular Weight | 228.13 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.12627 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 402846-46-2 |
|---|---|
| SMILES | C1CC(N2C(C1)OCC2C3=CC=CC=C3)C#N |
| InChIKey | GQHMNZGZXHZLEN-UHFFFAOYSA-N |
Product Overview
Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile (CAS 402846-46-2), with molecular formula C14H16N2O and molecular weight 228.13 g/mol. IUPAC: 3-phenyl-3,5,6,7,8,8a-hexahydro-2H-[1,3]oxazolo[3,2-a]pyridine-5-carbonitrile.
Chemical Property Profile of Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile
Property Insights of Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile. With a topological polar surface area (TPSA) of 36.3 Ų, Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile 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 Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile?
The CAS number of Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile is 402846-46-2.
What is the molecular formula of Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile?
The molecular formula of Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile is C14H16N2O.
What is the molecular weight of Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile?
The molecular weight of Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile is 228.13 g/mol.
Where can I buy Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile?
You can request a quote for Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-3-phenyl-5H-oxazolo(3,2-a)pyridine-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.