4,7-Tetrahydrodaidzein diacetate
TL;DR: 4,7-Tetrahydrodaidzein diacetate (CAS 457655-68-4) is a chemical compound with molecular formula C19H18O6 and molecular weight 342.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(7-acetyloxy-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)phenyl] acetate
Also Known As: 4 ,7-Tetrahydrodaidzein diacetate, 4,7-Tetrahydrodaidzein diacetate, 4',7-Tetrahydrodaidzein diacetate, J3.433.056E, [4-(7-acetyloxy-4-hydroxy-chroman-3-yl)phenyl] Acetate
| Molecular Formula | C19H18O6 |
|---|---|
| Molecular Weight | 342.11 g/mol |
| LogP | 2.7468 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.11035 |
| Heavy Atoms | 25 |
| Complexity | 796.06165 |
Chemical Identifiers
| CAS Number | 457655-68-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C2COC3=C(C2O)C=CC(=C3)OC(=O)C |
Product Overview
4,7-Tetrahydrodaidzein diacetate (CAS 457655-68-4), with molecular formula C19H18O6 and molecular weight 342.11 g/mol. IUPAC: [4-(7-acetyloxy-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)phenyl] acetate.
Chemical Property Profile of 4,7-Tetrahydrodaidzein diacetate
Property Insights of 4,7-Tetrahydrodaidzein diacetate
The XLogP value of 2.7468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Tetrahydrodaidzein diacetate. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,7-Tetrahydrodaidzein diacetate. Following Lipinski's Rule of Five, 4,7-Tetrahydrodaidzein diacetate has 1 hydrogen bond donor(s) and 6 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 4,7-Tetrahydrodaidzein diacetate?
The CAS number of 4,7-Tetrahydrodaidzein diacetate is 457655-68-4.
What is the molecular formula of 4,7-Tetrahydrodaidzein diacetate?
The molecular formula of 4,7-Tetrahydrodaidzein diacetate is C19H18O6.
What is the molecular weight of 4,7-Tetrahydrodaidzein diacetate?
The molecular weight of 4,7-Tetrahydrodaidzein diacetate is 342.11 g/mol.
Where can I buy 4,7-Tetrahydrodaidzein diacetate?
You can request a quote for 4,7-Tetrahydrodaidzein diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Tetrahydrodaidzein diacetate?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Tetrahydrodaidzein diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.