6-Chloro-7-hydroxy-5,8-isoquinolinedione
TL;DR: 6-Chloro-7-hydroxy-5,8-isoquinolinedione (CAS 102072-79-7) is a chemical compound with molecular formula C9H4ClNO3 and molecular weight 208.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-5-hydroxyisoquinoline-7,8-dione
Also Known As: 6-Chloro-7-hydroxy-5,8-isoquinolinedione, 6-chloro-5-hydroxyisoquinoline-7,8-dione, 5,8-Isoquinolinedione, 6-chloro-7-hydroxy-, 6-Chloro-5-hydroxy-7,8-isoquinolinedione
| Molecular Formula | C9H4ClNO3 |
|---|---|
| Molecular Weight | 208.99 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 67.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.98798 |
| Heavy Atoms | 14 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 102072-79-7 |
|---|---|
| SMILES | C1=CN=CC2=C1C(=C(C(=O)C2=O)Cl)O |
| InChIKey | SERGBLQEPAHAPR-UHFFFAOYSA-N |
Product Overview
6-Chloro-7-hydroxy-5,8-isoquinolinedione (CAS 102072-79-7), with molecular formula C9H4ClNO3 and molecular weight 208.99 g/mol. IUPAC: 6-chloro-5-hydroxyisoquinoline-7,8-dione.
Chemical Property Profile of 6-Chloro-7-hydroxy-5,8-isoquinolinedione
Property Insights of 6-Chloro-7-hydroxy-5,8-isoquinolinedione
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-7-hydroxy-5,8-isoquinolinedione. The TPSA of 67.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Chloro-7-hydroxy-5,8-isoquinolinedione. Following Lipinski's Rule of Five, 6-Chloro-7-hydroxy-5,8-isoquinolinedione has 1 hydrogen bond donor(s) and 4 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 6-Chloro-7-hydroxy-5,8-isoquinolinedione?
The CAS number of 6-Chloro-7-hydroxy-5,8-isoquinolinedione is 102072-79-7.
What is the molecular formula of 6-Chloro-7-hydroxy-5,8-isoquinolinedione?
The molecular formula of 6-Chloro-7-hydroxy-5,8-isoquinolinedione is C9H4ClNO3.
What is the molecular weight of 6-Chloro-7-hydroxy-5,8-isoquinolinedione?
The molecular weight of 6-Chloro-7-hydroxy-5,8-isoquinolinedione is 208.99 g/mol.
Where can I buy 6-Chloro-7-hydroxy-5,8-isoquinolinedione?
You can request a quote for 6-Chloro-7-hydroxy-5,8-isoquinolinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-7-hydroxy-5,8-isoquinolinedione?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-7-hydroxy-5,8-isoquinolinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.