Pinifolic acid methyl ester
TL;DR: Pinifolic acid methyl ester (CAS 5956-15-0) is a chemical compound with molecular formula C20H32O4 and molecular weight 336.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-carboxy-3-methylbutyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Also Known As: Dihydroagathic acid, Junicedric acid, MERCUSICACID, Pinifolic acid methyl ester, Compound NP-019727
| Molecular Formula | C20H32O4 |
|---|---|
| Molecular Weight | 336.23 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.23007 |
| Heavy Atoms | 24 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 5956-15-0 |
|---|---|
| SMILES | CC(CCC1C(=C)CCC2C1(CCCC2(C)C(=O)O)C)CC(=O)O |
| InChIKey | HPQKNJHVWUWAOR-UHFFFAOYSA-N |
Product Overview
Pinifolic acid methyl ester (CAS 5956-15-0), with molecular formula C20H32O4 and molecular weight 336.23 g/mol. IUPAC: 5-(4-carboxy-3-methylbutyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid.
Chemical Property Profile of Pinifolic acid methyl ester
Property Insights of Pinifolic acid methyl ester
The XLogP value of 4.7 indicates that Pinifolic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pinifolic acid methyl ester. Following Lipinski's Rule of Five, Pinifolic acid methyl ester has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pinifolic acid methyl ester?
The CAS number of Pinifolic acid methyl ester is 5956-15-0.
What is the molecular formula of Pinifolic acid methyl ester?
The molecular formula of Pinifolic acid methyl ester is C20H32O4.
What is the molecular weight of Pinifolic acid methyl ester?
The molecular weight of Pinifolic acid methyl ester is 336.23 g/mol.
Where can I buy Pinifolic acid methyl ester?
You can request a quote for Pinifolic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pinifolic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pinifolic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.