Ergosta-7,22-dien-3-yl linoleate
TL;DR: Ergosta-7,22-dien-3-yl linoleate (CAS 138349-20-9) is a chemical compound with molecular formula C46H76O2 and molecular weight 660.58 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9E,12E)-octadeca-9,12-dienoate
Also Known As: EDYLO, Ergosta-7,22-dien-3-yl linoleate, Ergosta-7,22-dien-3-ol, 9,12-octadecadienoate, (3beta(9Z,12Z),22E)-, [(3S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9E,12E)-octadeca-9,12-dienoate, RefChem:137546
| Molecular Formula | C46H76O2 |
|---|---|
| Molecular Weight | 660.58 g/mol |
| LogP | 13.7751 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 19 |
| Exact Mass | 660.58453 |
| Heavy Atoms | 48 |
| Complexity | 1093.3119 |
Chemical Identifiers
| CAS Number | 138349-20-9 |
|---|---|
| SMILES | CCCCC/C=C/C/C=C/CCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H](C3=CCC2C1)CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C)C)C |
Product Overview
Ergosta-7,22-dien-3-yl linoleate (CAS 138349-20-9), with molecular formula C46H76O2 and molecular weight 660.58 g/mol. IUPAC: [(3S,9R,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (9E,12E)-octadeca-9,12-dienoate.
Chemical Property Profile of Ergosta-7,22-dien-3-yl linoleate
Property Insights of Ergosta-7,22-dien-3-yl linoleate
The XLogP value of 13.7751 indicates that Ergosta-7,22-dien-3-yl linoleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ergosta-7,22-dien-3-yl linoleate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ergosta-7,22-dien-3-yl linoleate 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 Ergosta-7,22-dien-3-yl linoleate?
The CAS number of Ergosta-7,22-dien-3-yl linoleate is 138349-20-9.
What is the molecular formula of Ergosta-7,22-dien-3-yl linoleate?
The molecular formula of Ergosta-7,22-dien-3-yl linoleate is C46H76O2.
What is the molecular weight of Ergosta-7,22-dien-3-yl linoleate?
The molecular weight of Ergosta-7,22-dien-3-yl linoleate is 660.58 g/mol.
Where can I buy Ergosta-7,22-dien-3-yl linoleate?
You can request a quote for Ergosta-7,22-dien-3-yl linoleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergosta-7,22-dien-3-yl linoleate?
Yes, KEHONG BIO provides custom synthesis services for Ergosta-7,22-dien-3-yl linoleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.