Permethyl deriv. of cristatic acid
TL;DR: Permethyl deriv. of cristatic acid (CAS 80557-11-5) is a chemical compound with molecular formula C26H34O5 and molecular weight 426.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,4-dimethoxy-6-methyl-3-[3-methyl-6-[5-(2-methylprop-1-enyl)furan-3-yl]hex-2-enyl]benzoate
Also Known As: Permethyl deriv. of cristatic acid, NCI60_002980, METHYL 2,4-DIMETHOXY-6-METHYL-3-[3-METHYL-6-[5-(2-METHYLPROP-1-ENYL)-3-FURYL]HEX-2-ENYL]BENZOATE, methyl 2,4-dimethoxy-6-methyl-3-[3-methyl-6-[5-(2-methylprop-1-enyl)furan-3-yl]hex-2-enyl]benzoate
| Molecular Formula | C26H34O5 |
|---|---|
| Molecular Weight | 426.24 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 426.24063 |
| Heavy Atoms | 31 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 80557-11-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C(=O)OC)OC)CC=C(C)CCCC2=COC(=C2)C=C(C)C)OC |
| InChIKey | JFBRWQVSNGZWSC-UHFFFAOYSA-N |
Product Overview
Permethyl deriv. of cristatic acid (CAS 80557-11-5), with molecular formula C26H34O5 and molecular weight 426.24 g/mol. IUPAC: methyl 2,4-dimethoxy-6-methyl-3-[3-methyl-6-[5-(2-methylprop-1-enyl)furan-3-yl]hex-2-enyl]benzoate.
Chemical Property Profile of Permethyl deriv. of cristatic acid
Property Insights of Permethyl deriv. of cristatic acid
The XLogP value of 7.1 indicates that Permethyl deriv. of cristatic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, Permethyl deriv. of cristatic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Permethyl deriv. of cristatic acid has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Permethyl deriv. of cristatic acid?
The CAS number of Permethyl deriv. of cristatic acid is 80557-11-5.
What is the molecular formula of Permethyl deriv. of cristatic acid?
The molecular formula of Permethyl deriv. of cristatic acid is C26H34O5.
What is the molecular weight of Permethyl deriv. of cristatic acid?
The molecular weight of Permethyl deriv. of cristatic acid is 426.24 g/mol.
Where can I buy Permethyl deriv. of cristatic acid?
You can request a quote for Permethyl deriv. of cristatic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Permethyl deriv. of cristatic acid?
Yes, KEHONG BIO provides custom synthesis services for Permethyl deriv. of cristatic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.