Isoxanthohumol
TL;DR: Isoxanthohumol (CAS 72247-79-1) is a chemical compound with molecular formula C21H22O5 and molecular weight 354.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Also Known As: Isoxanthohumol, Isoxanthofumol, (2S)-Isoxanthohumol, Isoxanthohumol(Sophora), (+/-)-Isoxanthohumol
| Molecular Formula | C21H22O5 |
|---|---|
| Molecular Weight | 354.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.14673 |
| Heavy Atoms | 26 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 72247-79-1 |
|---|---|
| SMILES | CC(=CCC1=C2C(=C(C=C1O)OC)C(=O)CC(O2)C3=CC=C(C=C3)O)C |
| InChIKey | YKGCBLWILMDSAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoxanthohumol (CAS 72247-79-1), with molecular formula C21H22O5 and molecular weight 354.15 g/mol. IUPAC: 7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one.
Chemical Property Profile of Isoxanthohumol
Property Insights of Isoxanthohumol
The XLogP value of 4.1 indicates that Isoxanthohumol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoxanthohumol. Following Lipinski's Rule of Five, Isoxanthohumol has 2 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 Isoxanthohumol?
The CAS number of Isoxanthohumol is 72247-79-1.
What is the molecular formula of Isoxanthohumol?
The molecular formula of Isoxanthohumol is C21H22O5.
What is the molecular weight of Isoxanthohumol?
The molecular weight of Isoxanthohumol is 354.15 g/mol.
Where can I buy Isoxanthohumol?
You can request a quote for Isoxanthohumol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxanthohumol?
Yes, KEHONG BIO provides custom synthesis services for Isoxanthohumol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.