Isoathyriol
TL;DR: Isoathyriol (CAS 59092-97-6) is a chemical compound with molecular formula C14H10O6 and molecular weight 274.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7-trihydroxy-6-methoxyxanthen-9-one
Also Known As: Isoathyriol, 6-Methoxy-1,3,7-trihydroxyxanthone, 1,3,7-trihydroxy-6-methoxy-xanthen-9-one, 1,3,7-trihydroxy-6-methoxyxanthen-9-one, 1,3,7-trihydroxy-6-methoxyxanthone
| Molecular Formula | C14H10O6 |
|---|---|
| Molecular Weight | 274.05 g/mol |
| LogP | 2.0716 |
| Topological Polar Surface Area | 100.13 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 274.04773 |
| Heavy Atoms | 20 |
| Complexity | 893.67456 |
Chemical Identifiers
| CAS Number | 59092-97-6 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)OC3=CC(=CC(=C3C2=O)O)O)O |
Product Overview
Isoathyriol (CAS 59092-97-6), with molecular formula C14H10O6 and molecular weight 274.05 g/mol. IUPAC: 1,3,7-trihydroxy-6-methoxyxanthen-9-one.
Chemical Property Profile of Isoathyriol
Property Insights of Isoathyriol
The XLogP value of 2.0716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoathyriol. The TPSA of 100.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoathyriol. Following Lipinski's Rule of Five, Isoathyriol has 3 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 Isoathyriol?
The CAS number of Isoathyriol is 59092-97-6.
What is the molecular formula of Isoathyriol?
The molecular formula of Isoathyriol is C14H10O6.
What is the molecular weight of Isoathyriol?
The molecular weight of Isoathyriol is 274.05 g/mol.
Where can I buy Isoathyriol?
You can request a quote for Isoathyriol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoathyriol?
Yes, KEHONG BIO provides custom synthesis services for Isoathyriol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.