Grindelic acid methyl ester
TL;DR: Grindelic acid methyl ester (CAS 1438-58-0) is a chemical compound with molecular formula C21H34O3 and molecular weight 334.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2'S,4aS,8R,8aS)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetate
Also Known As: Methyl grindelate, Methyl grindeloate, Grindelic acid methyl ester, Methyl grindelic acid, Grindelic acid methyl ester [MI]
| Molecular Formula | C21H34O3 |
|---|---|
| Molecular Weight | 334.25 g/mol |
| LogP | 5.04 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.2508 |
| Heavy Atoms | 24 |
| Complexity | 563.43115 |
Chemical Identifiers
| CAS Number | 1438-58-0 |
|---|---|
| SMILES | CC1=CC[C@@H]2[C@@]([C@@]13CC[C@@](O3)(C)CC(=O)OC)(CCCC2(C)C)C |
Product Overview
Grindelic acid methyl ester (CAS 1438-58-0), with molecular formula C21H34O3 and molecular weight 334.25 g/mol. IUPAC: methyl 2-[(2'S,4aS,8R,8aS)-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetate.
Chemical Property Profile of Grindelic acid methyl ester
Property Insights of Grindelic acid methyl ester
The XLogP value of 5.04 indicates that Grindelic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Grindelic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Grindelic acid methyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Grindelic acid methyl ester?
The CAS number of Grindelic acid methyl ester is 1438-58-0.
What is the molecular formula of Grindelic acid methyl ester?
The molecular formula of Grindelic acid methyl ester is C21H34O3.
What is the molecular weight of Grindelic acid methyl ester?
The molecular weight of Grindelic acid methyl ester is 334.25 g/mol.
Where can I buy Grindelic acid methyl ester?
You can request a quote for Grindelic 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 Grindelic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Grindelic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.