Gentianadine
TL;DR: Gentianadine (CAS 5459-35-8) is a chemical compound with molecular formula C8H7NO2 and molecular weight 149.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydropyrano[3,4-c]pyridin-1-one
Also Known As: Gentianadine, 3,4-dihydropyrano[3,4-c]pyridin-1-one, 3,4-Dihydro-1H-pyrano[3,4-c]pyridin-1-one, ETHYL 2-BROMOACRYLATE, 1H,3H,4H-Pyrano[3,4-c]pyridin-1-one
| Molecular Formula | C8H7NO2 |
|---|---|
| Molecular Weight | 149.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.04768 |
| Heavy Atoms | 11 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 5459-35-8 |
|---|---|
| SMILES | C1COC(=O)C2=C1C=CN=C2 |
| InChIKey | SIIDHCZFMSEKDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Gentianadine (CAS 5459-35-8), with molecular formula C8H7NO2 and molecular weight 149.05 g/mol. IUPAC: 3,4-dihydropyrano[3,4-c]pyridin-1-one.
Chemical Property Profile of Gentianadine
Property Insights of Gentianadine
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gentianadine. With a topological polar surface area (TPSA) of 39.2 Ų, Gentianadine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Gentianadine 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 Gentianadine?
The CAS number of Gentianadine is 5459-35-8.
What is the molecular formula of Gentianadine?
The molecular formula of Gentianadine is C8H7NO2.
What is the molecular weight of Gentianadine?
The molecular weight of Gentianadine is 149.05 g/mol.
Where can I buy Gentianadine?
You can request a quote for Gentianadine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gentianadine?
Yes, KEHONG BIO provides custom synthesis services for Gentianadine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.