Gallin
TL;DR: Gallin (CAS 6333-64-8) is a chemical compound with molecular formula C20H14O7 and molecular weight 366.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Gallin
2-(3,4,5,6-tetrahydroxy-9H-xanthen-9-yl)benzoic acid
Also Known As: Gallin, 2-(3,4,5,6-tetrahydroxy-9h-xanthen-9-yl)benzoic acid, 9-(2'-Carboxyphenyl)-3,4,5,6-tetrahydroxyxanthene, Benzoic acid,2-(3,4,5,6-tetrahydroxy-9Hxanthen- 9-yl)-, 2-(3,4,5,6-tetrahydroxy-9h-xanthen-9-yl) benzoic acid
| Molecular Formula | C20H14O7 |
|---|---|
| Molecular Weight | 366.07 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.07394 |
| Heavy Atoms | 27 |
| Complexity | 524.0 |
Chemical Identifiers
| CAS Number | 6333-64-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2C3=C(C(=C(C=C3)O)O)OC4=C2C=CC(=C4O)O)C(=O)O |
| InChIKey | OKISBDHRUPZLOC-UHFFFAOYSA-N |
Product Overview
Gallin (CAS 6333-64-8), with molecular formula C20H14O7 and molecular weight 366.07 g/mol. IUPAC: 2-(3,4,5,6-tetrahydroxy-9H-xanthen-9-yl)benzoic acid.
Chemical Property Profile of Gallin
Property Insights of Gallin
The XLogP value of 3.0 indicates that Gallin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Gallin. Following Lipinski's Rule of Five, Gallin has 5 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 Gallin?
The CAS number of Gallin is 6333-64-8.
What is the molecular formula of Gallin?
The molecular formula of Gallin is C20H14O7.
What is the molecular weight of Gallin?
The molecular weight of Gallin is 366.07 g/mol.
Where can I buy Gallin?
You can request a quote for Gallin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gallin?
Yes, KEHONG BIO provides custom synthesis services for Gallin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.