Kaerophyllin
TL;DR: Kaerophyllin (CAS 126574-52-5) is a chemical compound with molecular formula C21H20O6 and molecular weight 368.12598 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3E,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methylidene]oxolan-2-one
Also Known As: Kaerophyllin, Chisulactone, (-)-Kaerophylin, HY-N3429, (3E,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methylidene]oxolan-2-one
Technical Specifications
| Molecular Formula | C21H20O6 |
| Molecular Weight | 368.12598 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.12598 Da |
| Heavy Atoms | 27 |
| Complexity | 561.0 |
| SMILES | COC1=C(C=C(C=C1)/C=C/2\[C@H](COC2=O)CC3=CC4=C(C=C3)OCO4)OC |
| InChIKey | CSKOHFAJPKLSBP-MDNIKOHYSA-N |
Chemical Property Profile of Kaerophyllin
Property Insights of Kaerophyllin
The XLogP value of 3.7 indicates that Kaerophyllin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Kaerophyllin. Following Lipinski's Rule of Five, Kaerophyllin has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Kaerophyllin?
The CAS number of Kaerophyllin is 126574-52-5.
What is the molecular formula of Kaerophyllin?
The molecular formula of Kaerophyllin is C21H20O6.
What is the molecular weight of Kaerophyllin?
The molecular weight of Kaerophyllin is 368.12598 g/mol.
Where can I buy Kaerophyllin?
You can request a quote for Kaerophyllin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Kaerophyllin?
Yes, CoreyChem provides custom synthesis services for Kaerophyllin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.