Diisophoronphenylacetat
TL;DR: Diisophoronphenylacetat (CAS 42301-67-7) is a chemical compound with molecular formula C26H34O3 and molecular weight 394.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,5,9,11,11-pentamethyl-3-oxo-1-tricyclo[7.3.1.02,7]tridec-2(7)-enyl) 2-phenylacetate
Also Known As: Diisophoronphenylacetat, (5,5,9,11,11-Pentamethyl-3-oxo-1-tricyclo[7.3.1.02,7]tridec-2(7)-enyl) 2-phenylacetate, 2,2,7,7,9-Pentamethyl-4-oxo-2,3,4,6,7,8,9,10-octahydro-5,9-methanobenzo[8]annulen-5(1H)-yl phenylacetate
| Molecular Formula | C26H34O3 |
|---|---|
| Molecular Weight | 394.25 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.2508 |
| Heavy Atoms | 29 |
| Complexity | 737.0 |
Chemical Identifiers
| CAS Number | 42301-67-7 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C3(CC(CC(C2)(C3)C)(C)C)OC(=O)CC4=CC=CC=C4)C |
| InChIKey | KREFNVCDNHSHTF-UHFFFAOYSA-N |
Product Overview
Diisophoronphenylacetat (CAS 42301-67-7), with molecular formula C26H34O3 and molecular weight 394.25 g/mol. IUPAC: (5,5,9,11,11-pentamethyl-3-oxo-1-tricyclo[7.3.1.02,7]tridec-2(7)-enyl) 2-phenylacetate.
Chemical Property Profile of Diisophoronphenylacetat
Property Insights of Diisophoronphenylacetat
The XLogP value of 5.3 indicates that Diisophoronphenylacetat is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Diisophoronphenylacetat exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisophoronphenylacetat has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diisophoronphenylacetat?
The CAS number of Diisophoronphenylacetat is 42301-67-7.
What is the molecular formula of Diisophoronphenylacetat?
The molecular formula of Diisophoronphenylacetat is C26H34O3.
What is the molecular weight of Diisophoronphenylacetat?
The molecular weight of Diisophoronphenylacetat is 394.25 g/mol.
Where can I buy Diisophoronphenylacetat?
You can request a quote for Diisophoronphenylacetat directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisophoronphenylacetat?
Yes, KEHONG BIO provides custom synthesis services for Diisophoronphenylacetat and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.