Gualenic Acid
TL;DR: Gualenic Acid (CAS 16915-32-5) is a chemical compound with molecular formula C15H18O3S and molecular weight 278.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-dimethyl-5-propan-2-ylazulene-1-sulfonic acid
Also Known As: Gualenic acid, Sodium gualenate, sodium-gualenate, azulene sulfonate, Guaiazulene sulfonate
| Molecular Formula | C15H18O3S |
|---|---|
| Molecular Weight | 278.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 278.09766 |
| Heavy Atoms | 19 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 16915-32-5 |
|---|---|
| SMILES | CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)S(=O)(=O)O |
| InChIKey | VIZXMHCBZLGUET-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Gualenic Acid (CAS 16915-32-5), with molecular formula C15H18O3S and molecular weight 278.10 g/mol. IUPAC: 3,8-dimethyl-5-propan-2-ylazulene-1-sulfonic acid.
Chemical Property Profile of Gualenic Acid
Property Insights of Gualenic Acid
The XLogP value of 3.5 indicates that Gualenic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Gualenic Acid. Following Lipinski's Rule of Five, Gualenic Acid has 1 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 Gualenic Acid?
The CAS number of Gualenic Acid is 16915-32-5.
What is the molecular formula of Gualenic Acid?
The molecular formula of Gualenic Acid is C15H18O3S.
What is the molecular weight of Gualenic Acid?
The molecular weight of Gualenic Acid is 278.10 g/mol.
Where can I buy Gualenic Acid?
You can request a quote for Gualenic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gualenic Acid?
Yes, KEHONG BIO provides custom synthesis services for Gualenic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.