9H-xanthene-3,6-diol
TL;DR: 9H-xanthene-3,6-diol (CAS 102914-73-8) is a chemical compound with molecular formula C13H10O3 and molecular weight 214.06299 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9H-xanthene-3,6-diol
Also Known As: 3,6-Dihydroxyxanthane, 9H-xanthene-3,6-diol, 3,6-Dihydroxy-9H-xanthene, J2.996.000C
Technical Specifications
| Molecular Formula | C13H10O3 |
| Molecular Weight | 214.06299 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.06299 Da |
| Heavy Atoms | 16 |
| Complexity | 232.0 |
| SMILES | C1C2=C(C=C(C=C2)O)OC3=C1C=CC(=C3)O |
| InChIKey | PDYQQADWTNPTRK-UHFFFAOYSA-N |
Chemical Property Profile of 9H-xanthene-3,6-diol
Property Insights of 9H-xanthene-3,6-diol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9H-xanthene-3,6-diol. With a topological polar surface area (TPSA) of 49.7 Ų, 9H-xanthene-3,6-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-xanthene-3,6-diol has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 9H-xanthene-3,6-diol?
The CAS number of 9H-xanthene-3,6-diol is 102914-73-8.
What is the molecular formula of 9H-xanthene-3,6-diol?
The molecular formula of 9H-xanthene-3,6-diol is C13H10O3.
What is the molecular weight of 9H-xanthene-3,6-diol?
The molecular weight of 9H-xanthene-3,6-diol is 214.06299 g/mol.
Where can I buy 9H-xanthene-3,6-diol?
You can request a quote for 9H-xanthene-3,6-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9H-xanthene-3,6-diol?
Yes, CoreyChem provides custom synthesis services for 9H-xanthene-3,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.