4,4-Bis(p-hydroxyphenyl)-3-hexanone diacetate
TL;DR: 4,4-Bis(p-hydroxyphenyl)-3-hexanone diacetate (CAS 21680-48-8) is a chemical compound with molecular formula C22H24O5 and molecular weight 368.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-(4-acetyloxyphenyl)-4-oxohexan-3-yl]phenyl] acetate
Also Known As: 4,4-Bis(p-hydroxyphenyl)-3-hexanone diacetate, 4,4-Bis[4-(acetyloxy)phenyl]3-hexanone, 3-Di-(p-acetoxyphenyl)-hexan-4-on, 4,4-Bis(4-acetoxyphenyl)-3-hexanone, 3-Hexanone,4,4-bis[4-(acetyloxy)phenyl]-
| Molecular Formula | C22H24O5 |
|---|---|
| Molecular Weight | 368.16 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 368.16238 |
| Heavy Atoms | 27 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 21680-48-8 |
|---|---|
| SMILES | CCC(=O)C(CC)(C1=CC=C(C=C1)OC(=O)C)C2=CC=C(C=C2)OC(=O)C |
| InChIKey | IKCMGESKFZLMGO-UHFFFAOYSA-N |
Product Overview
4,4-Bis(p-hydroxyphenyl)-3-hexanone diacetate (CAS 21680-48-8), with molecular formula C22H24O5 and molecular weight 368.16 g/mol. IUPAC: [4-[3-(4-acetyloxyphenyl)-4-oxohexan-3-yl]phenyl] acetate.
Chemical Property Profile of 4,4-Bis(p-hydroxyphenyl)-3-hexanone diacetate
Property Insights of 4,4-Bis(p-hydroxyphenyl)-3-hexanone diacetate
The XLogP value of 3.9 indicates that 4,4-Bis(p-hydroxyphenyl)-3-hexanone diacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Bis(p-hydroxyphenyl)-3-hexanone diacetate. Following Lipinski's Rule of Five, 4,4-Bis(p-hydroxyphenyl)-3-hexanone 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 4,4-Bis(p-hydroxyphenyl)-3-hexanone diacetate?
The CAS number of 4,4-Bis(p-hydroxyphenyl)-3-hexanone diacetate is 21680-48-8.
What is the molecular formula of 4,4-Bis(p-hydroxyphenyl)-3-hexanone diacetate?
The molecular formula of 4,4-Bis(p-hydroxyphenyl)-3-hexanone diacetate is C22H24O5.
What is the molecular weight of 4,4-Bis(p-hydroxyphenyl)-3-hexanone diacetate?
The molecular weight of 4,4-Bis(p-hydroxyphenyl)-3-hexanone diacetate is 368.16 g/mol.
Where can I buy 4,4-Bis(p-hydroxyphenyl)-3-hexanone diacetate?
You can request a quote for 4,4-Bis(p-hydroxyphenyl)-3-hexanone diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Bis(p-hydroxyphenyl)-3-hexanone diacetate?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Bis(p-hydroxyphenyl)-3-hexanone diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.