2,6,7-Trihydroxy-9-methyl-3H-xanthen-3-one
TL;DR: 2,6,7-Trihydroxy-9-methyl-3H-xanthen-3-one (CAS 5407-46-5) is a chemical compound with molecular formula C14H10O5 and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6,7-trihydroxy-9-methylxanthen-3-one
Also Known As: Methyl fluorone black, Methylfluorone, 2,6,7-Trihydroxy-9-methylxanthen-3-one, 2,6,7-trihydroxy-9-methyl-3H-xanthen-3-one, Methylfluorone Hemisulfate
| Molecular Formula | C14H10O5 |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 258.05283 |
| Heavy Atoms | 19 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 5407-46-5 |
|---|---|
| SMILES | CC1=C2C=C(C(=O)C=C2OC3=CC(=C(C=C13)O)O)O |
| InChIKey | TZVNNUHRZXQCHM-UHFFFAOYSA-N |
Product Overview
2,6,7-Trihydroxy-9-methyl-3H-xanthen-3-one (CAS 5407-46-5), with molecular formula C14H10O5 and molecular weight 258.05 g/mol. IUPAC: 2,6,7-trihydroxy-9-methylxanthen-3-one.
Chemical Property Profile of 2,6,7-Trihydroxy-9-methyl-3H-xanthen-3-one
Property Insights of 2,6,7-Trihydroxy-9-methyl-3H-xanthen-3-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,7-Trihydroxy-9-methyl-3H-xanthen-3-one. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6,7-Trihydroxy-9-methyl-3H-xanthen-3-one. Following Lipinski's Rule of Five, 2,6,7-Trihydroxy-9-methyl-3H-xanthen-3-one 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 2,6,7-Trihydroxy-9-methyl-3H-xanthen-3-one?
The CAS number of 2,6,7-Trihydroxy-9-methyl-3H-xanthen-3-one is 5407-46-5.
What is the molecular formula of 2,6,7-Trihydroxy-9-methyl-3H-xanthen-3-one?
The molecular formula of 2,6,7-Trihydroxy-9-methyl-3H-xanthen-3-one is C14H10O5.
What is the molecular weight of 2,6,7-Trihydroxy-9-methyl-3H-xanthen-3-one?
The molecular weight of 2,6,7-Trihydroxy-9-methyl-3H-xanthen-3-one is 258.05 g/mol.
Where can I buy 2,6,7-Trihydroxy-9-methyl-3H-xanthen-3-one?
You can request a quote for 2,6,7-Trihydroxy-9-methyl-3H-xanthen-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6,7-Trihydroxy-9-methyl-3H-xanthen-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trihydroxy-9-methyl-3H-xanthen-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.