Abietyl acetate
TL;DR: Abietyl acetate (CAS 54200-50-9) is a chemical compound with molecular formula C22H34O2 and molecular weight 330.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]methyl acetate
Also Known As: Abietyl acetate, Acetyl abietinol, Abietyl abcohol acetate, ABIETYL ALCOHOL, ACETATE, abieta-7,13-dien-18-yl acetate
| Molecular Formula | C22H34O2 |
|---|---|
| Molecular Weight | 330.26 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.2559 |
| Heavy Atoms | 24 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 54200-50-9 |
|---|---|
| SMILES | CC(C)C1=CC2=CC[C@H]3[C@](CCC[C@@]3([C@H]2CC1)C)(C)COC(=O)C |
| InChIKey | JVRVYQYYINXFCM-MYGLTJDJSA-N |
Product Overview
Abietyl acetate (CAS 54200-50-9), with molecular formula C22H34O2 and molecular weight 330.26 g/mol. IUPAC: [(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]methyl acetate.
Chemical Property Profile of Abietyl acetate
Property Insights of Abietyl acetate
The XLogP value of 5.4 indicates that Abietyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Abietyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Abietyl acetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Abietyl acetate?
The CAS number of Abietyl acetate is 54200-50-9.
What is the molecular formula of Abietyl acetate?
The molecular formula of Abietyl acetate is C22H34O2.
What is the molecular weight of Abietyl acetate?
The molecular weight of Abietyl acetate is 330.26 g/mol.
Where can I buy Abietyl acetate?
You can request a quote for Abietyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Abietyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Abietyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.