Methyl isopimarate
TL;DR: Methyl isopimarate (CAS 1686-62-0) is a chemical compound with molecular formula C21H32O2 and molecular weight 316.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylate
Also Known As: METHYL ISOPIMARATE, Isopimaric acid methyl ester, Methyl pimara-7,15-dien-18-oate, Methyl 7,15-Isopimaradien-18-oate, Methyl 13alpha-pimara-7,15-dien-18-oate
| Molecular Formula | C21H32O2 |
|---|---|
| Molecular Weight | 316.24 g/mol |
| LogP | 5.2946 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 316.24023 |
| Heavy Atoms | 23 |
| Complexity | 548.0448 |
Chemical Identifiers
| CAS Number | 1686-62-0 |
|---|---|
| SMILES | C[C@@]1(CC[C@H]2C(=CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)OC)C)C1)C=C |
Product Overview
Methyl isopimarate (CAS 1686-62-0), with molecular formula C21H32O2 and molecular weight 316.24 g/mol. IUPAC: methyl (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2H-phenanthrene-1-carboxylate.
Chemical Property Profile of Methyl isopimarate
Property Insights of Methyl isopimarate
The XLogP value of 5.2946 indicates that Methyl isopimarate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl isopimarate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl isopimarate 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 Methyl isopimarate?
The CAS number of Methyl isopimarate is 1686-62-0.
What is the molecular formula of Methyl isopimarate?
The molecular formula of Methyl isopimarate is C21H32O2.
What is the molecular weight of Methyl isopimarate?
The molecular weight of Methyl isopimarate is 316.24 g/mol.
Where can I buy Methyl isopimarate?
You can request a quote for Methyl isopimarate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl isopimarate?
Yes, KEHONG BIO provides custom synthesis services for Methyl isopimarate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.