Isobavachin
TL;DR: Isobavachin (CAS 36344-09-9) is a chemical compound with molecular formula C20H20O4 and molecular weight 324.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
Also Known As: Isobavachin, (S)-Isobavachin, KST-1A4248, HY-N0762, s9256
| Molecular Formula | C20H20O4 |
|---|---|
| Molecular Weight | 324.14 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.13617 |
| Heavy Atoms | 24 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 36344-09-9 |
|---|---|
| SMILES | CC(=CCC1=C(C=CC2=C1O[C@@H](CC2=O)C3=CC=C(C=C3)O)O)C |
| InChIKey | KYFBXCHUXFKMGQ-IBGZPJMESA-N |
Product Overview
Isobavachin (CAS 36344-09-9), with molecular formula C20H20O4 and molecular weight 324.14 g/mol. IUPAC: (2S)-7-hydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one.
Chemical Property Profile of Isobavachin
Property Insights of Isobavachin
The XLogP value of 4.1 indicates that Isobavachin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Isobavachin. Following Lipinski's Rule of Five, Isobavachin has 2 hydrogen bond donor(s) and 4 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 Isobavachin?
The CAS number of Isobavachin is 36344-09-9.
What is the molecular formula of Isobavachin?
The molecular formula of Isobavachin is C20H20O4.
What is the molecular weight of Isobavachin?
The molecular weight of Isobavachin is 324.14 g/mol.
Where can I buy Isobavachin?
You can request a quote for Isobavachin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isobavachin?
Yes, KEHONG BIO provides custom synthesis services for Isobavachin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.