Ethyl abietate
TL;DR: Ethyl abietate (CAS 631-71-0) 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.
ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate
Also Known As: ETHYL ABIETATE, Abietic Acid Ethyl Ester, Ethyl Rosinate, EthylAbietate, Abietic acid, ethyl ester
| Molecular Formula | C22H34O2 |
|---|---|
| Molecular Weight | 330.26 g/mol |
| LogP | 5.5 |
| 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 | 631-71-0 |
|---|---|
| SMILES | CCOC(=O)[C@@]1(CCC[C@]2([C@H]1CC=C3[C@@H]2CCC(=C3)C(C)C)C)C |
| InChIKey | AGUBCDYYAKENKG-YVNJGZBMSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl abietate (CAS 631-71-0), with molecular formula C22H34O2 and molecular weight 330.26 g/mol. IUPAC: ethyl (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylate.
Chemical Property Profile of Ethyl abietate
Property Insights of Ethyl abietate
The XLogP value of 5.5 indicates that Ethyl abietate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl abietate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl abietate 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 Ethyl abietate?
The CAS number of Ethyl abietate is 631-71-0.
What is the molecular formula of Ethyl abietate?
The molecular formula of Ethyl abietate is C22H34O2.
What is the molecular weight of Ethyl abietate?
The molecular weight of Ethyl abietate is 330.26 g/mol.
Where can I buy Ethyl abietate?
You can request a quote for Ethyl abietate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl abietate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl abietate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.