1,3,7-Trihydroxyxanthone
TL;DR: 1,3,7-Trihydroxyxanthone (CAS 529-49-7) is a chemical compound with molecular formula C13H8O5 and molecular weight 244.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7-trihydroxyxanthen-9-one
Also Known As: Gentisein, 1,3,7-Trihydroxyxanthone, 1,3,7-trihydroxy-9H-xanthen-9-one, XANTHONE DERIV, 1,3,7-trihydroxyxanthen-9-one
| Molecular Formula | C13H8O5 |
|---|---|
| Molecular Weight | 244.04 g/mol |
| LogP | 2.063 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 244.03717 |
| Heavy Atoms | 18 |
| Complexity | 832.0094 |
Chemical Identifiers
| CAS Number | 529-49-7 |
|---|---|
| SMILES | C1=CC2=C(C=C1O)C(=O)C3=C(C=C(C=C3O2)O)O |
Product Overview
1,3,7-Trihydroxyxanthone (CAS 529-49-7), with molecular formula C13H8O5 and molecular weight 244.04 g/mol. IUPAC: 1,3,7-trihydroxyxanthen-9-one.
Chemical Property Profile of 1,3,7-Trihydroxyxanthone
Property Insights of 1,3,7-Trihydroxyxanthone
The XLogP value of 2.063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,7-Trihydroxyxanthone. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,7-Trihydroxyxanthone. Following Lipinski's Rule of Five, 1,3,7-Trihydroxyxanthone has 3 hydrogen bond donor(s) and 5 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 1,3,7-Trihydroxyxanthone?
The CAS number of 1,3,7-Trihydroxyxanthone is 529-49-7.
What is the molecular formula of 1,3,7-Trihydroxyxanthone?
The molecular formula of 1,3,7-Trihydroxyxanthone is C13H8O5.
What is the molecular weight of 1,3,7-Trihydroxyxanthone?
The molecular weight of 1,3,7-Trihydroxyxanthone is 244.04 g/mol.
Where can I buy 1,3,7-Trihydroxyxanthone?
You can request a quote for 1,3,7-Trihydroxyxanthone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,7-Trihydroxyxanthone?
Yes, KEHONG BIO provides custom synthesis services for 1,3,7-Trihydroxyxanthone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.