Dehydroequol diacetate
TL;DR: Dehydroequol diacetate (CAS 81267-66-5) is a chemical compound with molecular formula C19H16O5 and molecular weight 324.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(7-acetyloxy-2H-chromen-3-yl)phenyl] acetate
Also Known As: Dehydroequol diacetate, Phenoxodiol diacetate, DEHYDROEQUOLDIACETATE, 4',7-diacetoxy-isoflav-3-ene, [4-(7-acetyloxy-2H-chromen-3-yl)phenyl] Acetate
| Molecular Formula | C19H16O5 |
|---|---|
| Molecular Weight | 324.10 g/mol |
| LogP | 3.4702 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.09976 |
| Heavy Atoms | 24 |
| Complexity | 818.1508 |
Chemical Identifiers
| CAS Number | 81267-66-5 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)OC(=O)C)OC2 |
Product Overview
Dehydroequol diacetate (CAS 81267-66-5), with molecular formula C19H16O5 and molecular weight 324.10 g/mol. IUPAC: [4-(7-acetyloxy-2H-chromen-3-yl)phenyl] acetate.
Chemical Property Profile of Dehydroequol diacetate
Property Insights of Dehydroequol diacetate
The XLogP value of 3.4702 indicates that Dehydroequol diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydroequol diacetate. Following Lipinski's Rule of Five, Dehydroequol diacetate has 0 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 Dehydroequol diacetate?
The CAS number of Dehydroequol diacetate is 81267-66-5.
What is the molecular formula of Dehydroequol diacetate?
The molecular formula of Dehydroequol diacetate is C19H16O5.
What is the molecular weight of Dehydroequol diacetate?
The molecular weight of Dehydroequol diacetate is 324.10 g/mol.
Where can I buy Dehydroequol diacetate?
You can request a quote for Dehydroequol diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydroequol diacetate?
Yes, KEHONG BIO provides custom synthesis services for Dehydroequol diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.