WS-5995 A
TL;DR: WS-5995 A (CAS 76191-51-0) is a chemical compound with molecular formula C19H12O6 and molecular weight 336.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-hydroxy-1-methoxy-3-methylnaphtho[3,2-c]isochromene-5,7,12-trione
Also Known As: Antibiotic WS5995A, WS-5995 A, Antibiotic WS-5995A, WS 5995A, WS 5995
| Molecular Formula | C19H12O6 |
|---|---|
| Molecular Weight | 336.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.0634 |
| Heavy Atoms | 25 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 76191-51-0 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)OC)C3=C(C(=O)C4=C(C3=O)C=CC=C4O)OC2=O |
| InChIKey | LUXDHHSVJLVLPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
WS-5995 A (CAS 76191-51-0), with molecular formula C19H12O6 and molecular weight 336.06 g/mol. IUPAC: 8-hydroxy-1-methoxy-3-methylnaphtho[3,2-c]isochromene-5,7,12-trione.
Chemical Property Profile of WS-5995 A
Property Insights of WS-5995 A
The XLogP value of 3.3 indicates that WS-5995 A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for WS-5995 A. Following Lipinski's Rule of Five, WS-5995 A has 1 hydrogen bond donor(s) and 6 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 WS-5995 A?
The CAS number of WS-5995 A is 76191-51-0.
What is the molecular formula of WS-5995 A?
The molecular formula of WS-5995 A is C19H12O6.
What is the molecular weight of WS-5995 A?
The molecular weight of WS-5995 A is 336.06 g/mol.
Where can I buy WS-5995 A?
You can request a quote for WS-5995 A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WS-5995 A?
Yes, KEHONG BIO provides custom synthesis services for WS-5995 A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.