(2S)-Isoxanthohumol
TL;DR: (2S)-Isoxanthohumol (CAS 70872-29-6) 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.
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Also Known As: Isoxanthohumol, (2S)-Isoxanthohumol, (-)-Isoxanthohumol, Isoxanthohumol, (-)-, Isoxanthohumol (sophora)
| Molecular Formula | C21H22O5 |
|---|---|
| Molecular Weight | 354.15 g/mol |
| LogP | 4.3216 |
| Topological Polar Surface Area | 75.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.14673 |
| Heavy Atoms | 26 |
| Complexity | 860.96045 |
Chemical Identifiers
| CAS Number | 70872-29-6 |
|---|---|
| SMILES | CC(=CCC1=C2C(=C(C=C1O)OC)C(=O)C[C@H](O2)C3=CC=C(C=C3)O)C |
Product Overview
(2S)-Isoxanthohumol (CAS 70872-29-6), with molecular formula C21H22O5 and molecular weight 354.15 g/mol. IUPAC: (2S)-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one.
Chemical Property Profile of (2S)-Isoxanthohumol
Property Insights of (2S)-Isoxanthohumol
The XLogP value of 4.3216 indicates that (2S)-Isoxanthohumol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.99 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-Isoxanthohumol. Following Lipinski's Rule of Five, (2S)-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 (2S)-Isoxanthohumol?
The CAS number of (2S)-Isoxanthohumol is 70872-29-6.
What is the molecular formula of (2S)-Isoxanthohumol?
The molecular formula of (2S)-Isoxanthohumol is C21H22O5.
What is the molecular weight of (2S)-Isoxanthohumol?
The molecular weight of (2S)-Isoxanthohumol is 354.15 g/mol.
Where can I buy (2S)-Isoxanthohumol?
You can request a quote for (2S)-Isoxanthohumol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-Isoxanthohumol?
Yes, KEHONG BIO provides custom synthesis services for (2S)-Isoxanthohumol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.