Puberulic Acid
TL;DR: Puberulic Acid (CAS 99-23-0) is a chemical compound with molecular formula C8H6O6 and molecular weight 198.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6-trihydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid
Also Known As: Puberulic acid, Puberlic acid, PUBERULIC ACID [MI], 4,5,6-trihydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid, J3.533.327D
| Molecular Formula | C8H6O6 |
|---|---|
| Molecular Weight | 198.02 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 198.01643 |
| Heavy Atoms | 14 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 99-23-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C(C1=O)O)O)O)C(=O)O |
| InChIKey | RRDGXYZZWSIADF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Puberulic Acid (CAS 99-23-0), with molecular formula C8H6O6 and molecular weight 198.02 g/mol. IUPAC: 4,5,6-trihydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid.
Chemical Property Profile of Puberulic Acid
Property Insights of Puberulic Acid
The XLogP value of -0.6 indicates that Puberulic Acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Puberulic Acid. Following Lipinski's Rule of Five, Puberulic Acid has 4 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 Puberulic Acid?
The CAS number of Puberulic Acid is 99-23-0.
What is the molecular formula of Puberulic Acid?
The molecular formula of Puberulic Acid is C8H6O6.
What is the molecular weight of Puberulic Acid?
The molecular weight of Puberulic Acid is 198.02 g/mol.
Where can I buy Puberulic Acid?
You can request a quote for Puberulic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Puberulic Acid?
Yes, KEHONG BIO provides custom synthesis services for Puberulic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.