4a-Phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one
TL;DR: 4a-Phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one (CAS 33821-97-5) 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.
4a-phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one
Also Known As: 4a-phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one, 4a-Phenyl-3,4,4a,5,6,7-hexahydro-1,8-naphthyridin-2(1H)-one
| Molecular Formula | C14H16N2O |
|---|---|
| Molecular Weight | 228.13 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.12627 |
| Heavy Atoms | 17 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 33821-97-5 |
|---|---|
| SMILES | C1CC2(CCC(=O)NC2=NC1)C3=CC=CC=C3 |
| InChIKey | ZIYQNZCUEFBGOF-UHFFFAOYSA-N |
Product Overview
4a-Phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one (CAS 33821-97-5), with molecular formula C14H16N2O and molecular weight 228.13 g/mol. IUPAC: 4a-phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one.
Chemical Property Profile of 4a-Phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one
Property Insights of 4a-Phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4a-Phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one. With a topological polar surface area (TPSA) of 41.5 Ų, 4a-Phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4a-Phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one 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 4a-Phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one?
The CAS number of 4a-Phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one is 33821-97-5.
What is the molecular formula of 4a-Phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one?
The molecular formula of 4a-Phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one is C14H16N2O.
What is the molecular weight of 4a-Phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one?
The molecular weight of 4a-Phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one is 228.13 g/mol.
Where can I buy 4a-Phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one?
You can request a quote for 4a-Phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4a-Phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4a-Phenyl-1,3,4,5,6,7-hexahydro-1,8-naphthyridin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.