4-Chloro-3,6,8-trihydroxy-1-methyl-9H-xanthen-9-one
TL;DR: 4-Chloro-3,6,8-trihydroxy-1-methyl-9H-xanthen-9-one (CAS 68048-39-5) is a chemical compound with molecular formula C14H9ClO5 and molecular weight 292.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3,6,8-trihydroxy-1-methylxanthen-9-one
Also Known As: XANTHONE 1, 4-chloro-3,6,8-trihydroxy-1-methylxanthen-9-one, 4-Chloro-3,6,8-trihydroxy-1-methyl-9H-xanthen-9-one
| Molecular Formula | C14H9ClO5 |
|---|---|
| Molecular Weight | 292.01 g/mol |
| LogP | 3.02482 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 292.01385 |
| Heavy Atoms | 20 |
| Complexity | 926.61993 |
Chemical Identifiers
| CAS Number | 68048-39-5 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1C(=O)C3=C(C=C(C=C3O2)O)O)Cl)O |
Product Overview
4-Chloro-3,6,8-trihydroxy-1-methyl-9H-xanthen-9-one (CAS 68048-39-5), with molecular formula C14H9ClO5 and molecular weight 292.01 g/mol. IUPAC: 4-chloro-3,6,8-trihydroxy-1-methylxanthen-9-one.
Chemical Property Profile of 4-Chloro-3,6,8-trihydroxy-1-methyl-9H-xanthen-9-one
Property Insights of 4-Chloro-3,6,8-trihydroxy-1-methyl-9H-xanthen-9-one
The XLogP value of 3.02482 indicates that 4-Chloro-3,6,8-trihydroxy-1-methyl-9H-xanthen-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3,6,8-trihydroxy-1-methyl-9H-xanthen-9-one. Following Lipinski's Rule of Five, 4-Chloro-3,6,8-trihydroxy-1-methyl-9H-xanthen-9-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 4-Chloro-3,6,8-trihydroxy-1-methyl-9H-xanthen-9-one?
The CAS number of 4-Chloro-3,6,8-trihydroxy-1-methyl-9H-xanthen-9-one is 68048-39-5.
What is the molecular formula of 4-Chloro-3,6,8-trihydroxy-1-methyl-9H-xanthen-9-one?
The molecular formula of 4-Chloro-3,6,8-trihydroxy-1-methyl-9H-xanthen-9-one is C14H9ClO5.
What is the molecular weight of 4-Chloro-3,6,8-trihydroxy-1-methyl-9H-xanthen-9-one?
The molecular weight of 4-Chloro-3,6,8-trihydroxy-1-methyl-9H-xanthen-9-one is 292.01 g/mol.
Where can I buy 4-Chloro-3,6,8-trihydroxy-1-methyl-9H-xanthen-9-one?
You can request a quote for 4-Chloro-3,6,8-trihydroxy-1-methyl-9H-xanthen-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3,6,8-trihydroxy-1-methyl-9H-xanthen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3,6,8-trihydroxy-1-methyl-9H-xanthen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.