![3,5-Bis(acetyloxy)-2-{3-[4-(acetyloxy)phenyl]propanoyl}phenyl acetate structure](/static/products/4238/42385-89-7.webp)
3,5-Bis(acetyloxy)-2-{3-[4-(acetyloxy)phenyl]propanoyl}phenyl acetate
TL;DR: 3,5-Bis(acetyloxy)-2-{3-[4-(acetyloxy)phenyl]propanoyl}phenyl acetate (CAS 42385-89-7) is a chemical compound with molecular formula C23H22O9 and molecular weight 442.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-oxo-3-(2,4,6-triacetyloxyphenyl)propyl]phenyl] acetate
Also Known As: 3,5-bis(acetyloxy)-2-{3-[4-(acetyloxy)phenyl]propanoyl}phenyl acetate, J3.381.933A, [4-[3-oxo-3-(2,4,6-triacetyloxyphenyl)propyl]phenyl] acetate, 2 ,4 ,6 -Triacetoxy-omega-(4-acetoxyphenyl)propiophenone, 3-(4-acetoxy-phenyl)-1-(2,4,6-triacetoxy-phenyl)-propan-1-one
| Molecular Formula | C23H22O9 |
|---|---|
| Molecular Weight | 442.13 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 442.12637 |
| Heavy Atoms | 32 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 42385-89-7 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)CCC(=O)C2=C(C=C(C=C2OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | OUTPMVGHRKAIEB-UHFFFAOYSA-N |
Product Overview
3,5-Bis(acetyloxy)-2-{3-[4-(acetyloxy)phenyl]propanoyl}phenyl acetate (CAS 42385-89-7), with molecular formula C23H22O9 and molecular weight 442.13 g/mol. IUPAC: [4-[3-oxo-3-(2,4,6-triacetyloxyphenyl)propyl]phenyl] acetate.
Chemical Property Profile of 3,5-Bis(acetyloxy)-2-{3-[4-(acetyloxy)phenyl]propanoyl}phenyl acetate
Property Insights of 3,5-Bis(acetyloxy)-2-{3-[4-(acetyloxy)phenyl]propanoyl}phenyl acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Bis(acetyloxy)-2-{3-[4-(acetyloxy)phenyl]propanoyl}phenyl acetate. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Bis(acetyloxy)-2-{3-[4-(acetyloxy)phenyl]propanoyl}phenyl acetate. Following Lipinski's Rule of Five, 3,5-Bis(acetyloxy)-2-{3-[4-(acetyloxy)phenyl]propanoyl}phenyl acetate has 0 hydrogen bond donor(s) and 9 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 3,5-Bis(acetyloxy)-2-{3-[4-(acetyloxy)phenyl]propanoyl}phenyl acetate?
The CAS number of 3,5-Bis(acetyloxy)-2-{3-[4-(acetyloxy)phenyl]propanoyl}phenyl acetate is 42385-89-7.
What is the molecular formula of 3,5-Bis(acetyloxy)-2-{3-[4-(acetyloxy)phenyl]propanoyl}phenyl acetate?
The molecular formula of 3,5-Bis(acetyloxy)-2-{3-[4-(acetyloxy)phenyl]propanoyl}phenyl acetate is C23H22O9.
What is the molecular weight of 3,5-Bis(acetyloxy)-2-{3-[4-(acetyloxy)phenyl]propanoyl}phenyl acetate?
The molecular weight of 3,5-Bis(acetyloxy)-2-{3-[4-(acetyloxy)phenyl]propanoyl}phenyl acetate is 442.13 g/mol.
Where can I buy 3,5-Bis(acetyloxy)-2-{3-[4-(acetyloxy)phenyl]propanoyl}phenyl acetate?
You can request a quote for 3,5-Bis(acetyloxy)-2-{3-[4-(acetyloxy)phenyl]propanoyl}phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(acetyloxy)-2-{3-[4-(acetyloxy)phenyl]propanoyl}phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(acetyloxy)-2-{3-[4-(acetyloxy)phenyl]propanoyl}phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.