Squamatic acid
TL;DR: Squamatic acid (CAS 569-36-8) is a chemical compound with molecular formula C19H18O9 and molecular weight 390.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-carboxy-2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoic acid
Also Known As: Squamatic acid, Squamatsaure, 4-(3-carboxy-2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoic acid, 2-Hydroxy-4-methoxy-6-methyl-1,3-benzenedicarboxylicacid1- ester, 2-Hydroxy-4-methoxy-6-methyl-1,3-benzenedicarboxylic acid 1-(4-carboxy-3-hydroxy-2,5-dimethylphenyl) ester
| Molecular Formula | C19H18O9 |
|---|---|
| Molecular Weight | 390.10 g/mol |
| LogP | 2.64726 |
| Topological Polar Surface Area | 150.59 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.0951 |
| Heavy Atoms | 28 |
| Complexity | 1005.4395 |
Chemical Identifiers
| CAS Number | 569-36-8 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C(=O)O)O)C)OC(=O)C2=C(C(=C(C=C2C)OC)C(=O)O)O |
Product Overview
Squamatic acid (CAS 569-36-8), with molecular formula C19H18O9 and molecular weight 390.10 g/mol. IUPAC: 4-(3-carboxy-2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-2-hydroxy-3,6-dimethylbenzoic acid.
Chemical Property Profile of Squamatic acid
Property Insights of Squamatic acid
The XLogP value of 2.64726 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Squamatic acid. The TPSA of 150.59 Ų indicates high polarity, suggesting Squamatic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Squamatic acid has 4 hydrogen bond donor(s) and 7 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 Squamatic acid?
The CAS number of Squamatic acid is 569-36-8.
What is the molecular formula of Squamatic acid?
The molecular formula of Squamatic acid is C19H18O9.
What is the molecular weight of Squamatic acid?
The molecular weight of Squamatic acid is 390.10 g/mol.
Where can I buy Squamatic acid?
You can request a quote for Squamatic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Squamatic acid?
Yes, KEHONG BIO provides custom synthesis services for Squamatic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.