Jineol
TL;DR: Jineol (CAS 178765-55-4) is a chemical compound with molecular formula C9H7NO2 and molecular weight 161.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Jineol
quinoline-3,8-diol
Also Known As: Jineol, quinoline-3,8-diol, 3,8-Quinolinediol, 3,8-Dihydroxyquinoline, Fasudil Impurity 8
| Molecular Formula | C9H7NO2 |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.04768 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 178765-55-4 |
|---|---|
| SMILES | C1=CC2=CC(=CN=C2C(=C1)O)O |
| InChIKey | IGDFDIZIHMFYGR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Jineol (CAS 178765-55-4), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: quinoline-3,8-diol.
Chemical Property Profile of Jineol
Property Insights of Jineol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Jineol. With a topological polar surface area (TPSA) of 53.4 Ų, Jineol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Jineol has 2 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 Jineol?
The CAS number of Jineol is 178765-55-4.
What is the molecular formula of Jineol?
The molecular formula of Jineol is C9H7NO2.
What is the molecular weight of Jineol?
The molecular weight of Jineol is 161.05 g/mol.
Where can I buy Jineol?
You can request a quote for Jineol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Jineol?
Yes, KEHONG BIO provides custom synthesis services for Jineol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.