3,4-Bis(4-acetoxyphenyl)-2,4-hexadiene
TL;DR: 3,4-Bis(4-acetoxyphenyl)-2,4-hexadiene (CAS 84-19-5) is a chemical compound with molecular formula C22H22O4 and molecular weight 350.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[4-(4-acetyloxyphenyl)hexa-2,4-dien-3-yl]phenyl] acetate
Also Known As: DIENESTROL DIACETATE, dienestrol, Dienoestrolum, Hexadioestrol, Cycladiene
| Molecular Formula | C22H22O4 |
|---|---|
| Molecular Weight | 350.15 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 350.1518 |
| Heavy Atoms | 26 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 84-19-5 |
|---|---|
| SMILES | CC=C(C1=CC=C(C=C1)OC(=O)C)C(=CC)C2=CC=C(C=C2)OC(=O)C |
| InChIKey | YWLLGDVBTLPARJ-UHFFFAOYSA-N |
Product Overview
3,4-Bis(4-acetoxyphenyl)-2,4-hexadiene (CAS 84-19-5), with molecular formula C22H22O4 and molecular weight 350.15 g/mol. IUPAC: [4-[4-(4-acetyloxyphenyl)hexa-2,4-dien-3-yl]phenyl] acetate.
Chemical Property Profile of 3,4-Bis(4-acetoxyphenyl)-2,4-hexadiene
Property Insights of 3,4-Bis(4-acetoxyphenyl)-2,4-hexadiene
The XLogP value of 5.6 indicates that 3,4-Bis(4-acetoxyphenyl)-2,4-hexadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3,4-Bis(4-acetoxyphenyl)-2,4-hexadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Bis(4-acetoxyphenyl)-2,4-hexadiene has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-Bis(4-acetoxyphenyl)-2,4-hexadiene?
The CAS number of 3,4-Bis(4-acetoxyphenyl)-2,4-hexadiene is 84-19-5.
What is the molecular formula of 3,4-Bis(4-acetoxyphenyl)-2,4-hexadiene?
The molecular formula of 3,4-Bis(4-acetoxyphenyl)-2,4-hexadiene is C22H22O4.
What is the molecular weight of 3,4-Bis(4-acetoxyphenyl)-2,4-hexadiene?
The molecular weight of 3,4-Bis(4-acetoxyphenyl)-2,4-hexadiene is 350.15 g/mol.
Where can I buy 3,4-Bis(4-acetoxyphenyl)-2,4-hexadiene?
You can request a quote for 3,4-Bis(4-acetoxyphenyl)-2,4-hexadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Bis(4-acetoxyphenyl)-2,4-hexadiene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Bis(4-acetoxyphenyl)-2,4-hexadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.