Hydrogenated methyl abietate
TL;DR: Hydrogenated methyl abietate (CAS 30968-45-7) is a chemical compound with molecular formula C21H34O2 and molecular weight 318.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene-1-carboxylate
Also Known As: Hydrogenated methyl abietate, METHYL DIHYDROABIETATE, Dihydroabietic Acid Methyl Ester, Abietic acid, dihydro-, methyl ester, methyl (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene-1-carboxylate
| Molecular Formula | C21H34O2 |
|---|---|
| Molecular Weight | 318.26 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.2559 |
| Heavy Atoms | 23 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 30968-45-7 |
|---|---|
| SMILES | CC(C)C1=CC2CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)OC)C |
| InChIKey | MARRJGBPDCCAEK-HSLMUJISSA-N |
Product Overview
Hydrogenated methyl abietate (CAS 30968-45-7), with molecular formula C21H34O2 and molecular weight 318.26 g/mol. IUPAC: methyl (1R,4aR,4bS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,8a,9,10,10a-decahydrophenanthrene-1-carboxylate.
Chemical Property Profile of Hydrogenated methyl abietate
Property Insights of Hydrogenated methyl abietate
The XLogP value of 5.8 indicates that Hydrogenated methyl 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, Hydrogenated methyl abietate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydrogenated methyl 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 Hydrogenated methyl abietate?
The CAS number of Hydrogenated methyl abietate is 30968-45-7.
What is the molecular formula of Hydrogenated methyl abietate?
The molecular formula of Hydrogenated methyl abietate is C21H34O2.
What is the molecular weight of Hydrogenated methyl abietate?
The molecular weight of Hydrogenated methyl abietate is 318.26 g/mol.
Where can I buy Hydrogenated methyl abietate?
You can request a quote for Hydrogenated methyl abietate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrogenated methyl abietate?
Yes, KEHONG BIO provides custom synthesis services for Hydrogenated methyl abietate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.