(2S,3R)-2-((2Z,5Z)-octa-2,5-dienyl)-3-undecyloxirane
TL;DR: (2S,3R)-2-((2Z,5Z)-octa-2,5-dienyl)-3-undecyloxirane (CAS 81309-90-2) is a chemical compound with molecular formula C21H38O and molecular weight 306.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-octa-2,5-dienyl-3-undecyloxirane
Also Known As: 9R,10S-Epoxy-3Z,6Z-heneicosadiene, (2S,3R)-2-((2Z,5Z)-octa-2,5-dienyl)-3-undecyloxirane, 9R,10S-Epoxy-3Z,6Z-heneicosadiene;DEEP;SCHEMBL5442207;LMFA12000320;AKOS015959105;(3z,6z,9s,10r)-9,10-epoxyheneicosa-3,6-diene;(2S,3R)-2-[(2Z,5Z)-octa-2,5-dienyl]-3-undecyloxirane;(2S,3R)-2-((2Z,5Z)-Octa-2,5-dien-1-yl)-3-undecyloxirane;81309-90-2
| Molecular Formula | C21H38O |
|---|---|
| Molecular Weight | 306.29 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 15 |
| Exact Mass | 306.29227 |
| Heavy Atoms | 22 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 81309-90-2 |
|---|---|
| SMILES | CCCCCCCCCCCC1C(O1)CC=CCC=CCC |
| InChIKey | HQCGSJRACGWHOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2S,3R)-2-((2Z,5Z)-octa-2,5-dienyl)-3-undecyloxirane (CAS 81309-90-2), with molecular formula C21H38O and molecular weight 306.29 g/mol. IUPAC: 2-octa-2,5-dienyl-3-undecyloxirane.
Chemical Property Profile of (2S,3R)-2-((2Z,5Z)-octa-2,5-dienyl)-3-undecyloxirane
Property Insights of (2S,3R)-2-((2Z,5Z)-octa-2,5-dienyl)-3-undecyloxirane
The XLogP value of 8.3 indicates that (2S,3R)-2-((2Z,5Z)-octa-2,5-dienyl)-3-undecyloxirane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, (2S,3R)-2-((2Z,5Z)-octa-2,5-dienyl)-3-undecyloxirane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,3R)-2-((2Z,5Z)-octa-2,5-dienyl)-3-undecyloxirane has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2S,3R)-2-((2Z,5Z)-octa-2,5-dienyl)-3-undecyloxirane?
The CAS number of (2S,3R)-2-((2Z,5Z)-octa-2,5-dienyl)-3-undecyloxirane is 81309-90-2.
What is the molecular formula of (2S,3R)-2-((2Z,5Z)-octa-2,5-dienyl)-3-undecyloxirane?
The molecular formula of (2S,3R)-2-((2Z,5Z)-octa-2,5-dienyl)-3-undecyloxirane is C21H38O.
What is the molecular weight of (2S,3R)-2-((2Z,5Z)-octa-2,5-dienyl)-3-undecyloxirane?
The molecular weight of (2S,3R)-2-((2Z,5Z)-octa-2,5-dienyl)-3-undecyloxirane is 306.29 g/mol.
Where can I buy (2S,3R)-2-((2Z,5Z)-octa-2,5-dienyl)-3-undecyloxirane?
You can request a quote for (2S,3R)-2-((2Z,5Z)-octa-2,5-dienyl)-3-undecyloxirane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3R)-2-((2Z,5Z)-octa-2,5-dienyl)-3-undecyloxirane?
Yes, KEHONG BIO provides custom synthesis services for (2S,3R)-2-((2Z,5Z)-octa-2,5-dienyl)-3-undecyloxirane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.