Ilicic acid, methyl ester
TL;DR: Ilicic acid, methyl ester (CAS 6617-65-8) is a chemical compound with molecular formula C16H26O3 and molecular weight 266.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Ilicic acid, methyl ester
methyl 2-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate
Also Known As: Diversifolol, Methyl vachanate, Ilicic acid, methyl ester, vachanic acid methylester, Vachanic acid methyl ester
| Molecular Formula | C16H26O3 |
|---|---|
| Molecular Weight | 266.19 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.1882 |
| Heavy Atoms | 19 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 6617-65-8 |
|---|---|
| SMILES | C[C@]12CCC[C@@]([C@@H]1C[C@@H](CC2)C(=C)C(=O)OC)(C)O |
| InChIKey | PMRPCJXLEQCTBH-RRCSTGOVSA-N |
Product Overview
Ilicic acid, methyl ester (CAS 6617-65-8), with molecular formula C16H26O3 and molecular weight 266.19 g/mol. IUPAC: methyl 2-[(2R,4aR,8R,8aR)-8-hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate.
Chemical Property Profile of Ilicic acid, methyl ester
Property Insights of Ilicic acid, methyl ester
The XLogP value of 3.5 indicates that Ilicic酸甲酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Ilicic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ilicic酸甲酯 has 1 hydrogen bond donor(s) and 3 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 Ilicic酸甲酯?
The CAS number of Ilicic酸甲酯 is 6617-65-8.
What is the molecular formula of Ilicic酸甲酯?
The molecular formula of Ilicic酸甲酯 is C16H26O3.
What is the molecular weight of Ilicic酸甲酯?
The molecular weight of Ilicic酸甲酯 is 266.19 g/mol.
Where can I buy Ilicic酸甲酯?
You can request a quote for Ilicic酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ilicic酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for Ilicic酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.