Xanthomicrol
TL;DR: Xanthomicrol (CAS 16545-23-6) is a chemical compound with molecular formula C18H16O7 and molecular weight 344.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxychromen-4-one
Also Known As: Xanthomicrol, 8-Methoxycirsimaritin, 4',5-dihydroxy-6,7,8-trimethoxyflavone, ACon1_000922, 5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxychromen-4-one
| Molecular Formula | C18H16O7 |
|---|---|
| Molecular Weight | 344.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.0896 |
| Heavy Atoms | 25 |
| Complexity | 512.0 |
| Melting Point | 227 - 230 °C |
Chemical Identifiers
| CAS Number | 16545-23-6 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC)OC |
| InChIKey | SAMBWAJRKKEEOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Xanthomicrol (CAS 16545-23-6), with molecular formula C18H16O7 and molecular weight 344.09 g/mol. IUPAC: 5-hydroxy-2-(4-hydroxyphenyl)-6,7,8-trimethoxychromen-4-one.
Chemical Property Profile of Xanthomicrol
Property Insights of Xanthomicrol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xanthomicrol. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Xanthomicrol. Following Lipinski's Rule of Five, Xanthomicrol has 2 hydrogen bond donor(s) and 7 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 Xanthomicrol?
The CAS number of Xanthomicrol is 16545-23-6.
What is the molecular formula of Xanthomicrol?
The molecular formula of Xanthomicrol is C18H16O7.
What is the molecular weight of Xanthomicrol?
The molecular weight of Xanthomicrol is 344.09 g/mol.
Where can I buy Xanthomicrol?
You can request a quote for Xanthomicrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthomicrol?
Yes, KEHONG BIO provides custom synthesis services for Xanthomicrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.