WS-5995 B
TL;DR: WS-5995 B (CAS 76191-52-1) is a chemical compound with molecular formula C19H14O6 and molecular weight 338.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-hydroxy-1,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid
Also Known As: Antibiotic WS 5995B, Antibiotic WS5995B, Antibiotic WS-5995B, 2-(5-hydroxy-1,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid, 2-(1,4-Dihydro-5-hydroxy-1,4-dioxo-2-naphthalenyl)-3-methoxy-5-methylbenzoic acid
| Molecular Formula | C19H14O6 |
|---|---|
| Molecular Weight | 338.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.07904 |
| Heavy Atoms | 25 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 76191-52-1 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)OC)C2=CC(=O)C3=C(C2=O)C=CC=C3O)C(=O)O |
| InChIKey | SFCJKMQKLHNLCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
WS-5995 B (CAS 76191-52-1), with molecular formula C19H14O6 and molecular weight 338.08 g/mol. IUPAC: 2-(5-hydroxy-1,4-dioxonaphthalen-2-yl)-3-methoxy-5-methylbenzoic acid.
Chemical Property Profile of WS-5995 B
Property Insights of WS-5995 B
The XLogP value of 3.1 indicates that WS-5995 B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for WS-5995 B. Following Lipinski's Rule of Five, WS-5995 B has 2 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 B?
The CAS number of WS-5995 B is 76191-52-1.
What is the molecular formula of WS-5995 B?
The molecular formula of WS-5995 B is C19H14O6.
What is the molecular weight of WS-5995 B?
The molecular weight of WS-5995 B is 338.08 g/mol.
Where can I buy WS-5995 B?
You can request a quote for WS-5995 B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for WS-5995 B?
Yes, KEHONG BIO provides custom synthesis services for WS-5995 B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.