Oxiraneoctanoic acid, 3-octyl-, 2-propenyl ester
TL;DR: Oxiraneoctanoic acid, 3-octyl-, 2-propenyl ester (CAS 123-36-4) is a chemical compound with molecular formula C21H38O3 and molecular weight 338.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 8-(3-octyloxiran-2-yl)octanoate
Also Known As: 9, allyl ester, Allyl-9,10-epoxystearate, Octadecanoic acid, 9,10-epoxy-, allyl ester, NCIOpen2_009276, prop-2-enyl 8-(3-octyloxiran-2-yl)octanoate
| Molecular Formula | C21H38O3 |
|---|---|
| Molecular Weight | 338.28 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 18 |
| Exact Mass | 338.2821 |
| Heavy Atoms | 24 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 123-36-4 |
|---|---|
| SMILES | CCCCCCCCC1C(O1)CCCCCCCC(=O)OCC=C |
| InChIKey | KHPNSFFGLLOSHH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxiraneoctanoic acid, 3-octyl-, 2-propenyl ester (CAS 123-36-4), with molecular formula C21H38O3 and molecular weight 338.28 g/mol. IUPAC: prop-2-enyl 8-(3-octyloxiran-2-yl)octanoate.
Chemical Property Profile of Oxiraneoctanoic acid, 3-octyl-, 2-propenyl ester
Property Insights of Oxiraneoctanoic acid, 3-octyl-, 2-propenyl ester
The XLogP value of 7.1 indicates that Oxiraneoctanoic acid, 3-octyl-, 2-propenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Oxiraneoctanoic acid, 3-octyl-, 2-propenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxiraneoctanoic acid, 3-octyl-, 2-propenyl 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 Oxiraneoctanoic acid, 3-octyl-, 2-propenyl ester?
The CAS number of Oxiraneoctanoic acid, 3-octyl-, 2-propenyl ester is 123-36-4.
What is the molecular formula of Oxiraneoctanoic acid, 3-octyl-, 2-propenyl ester?
The molecular formula of Oxiraneoctanoic acid, 3-octyl-, 2-propenyl ester is C21H38O3.
What is the molecular weight of Oxiraneoctanoic acid, 3-octyl-, 2-propenyl ester?
The molecular weight of Oxiraneoctanoic acid, 3-octyl-, 2-propenyl ester is 338.28 g/mol.
Where can I buy Oxiraneoctanoic acid, 3-octyl-, 2-propenyl ester?
You can request a quote for Oxiraneoctanoic acid, 3-octyl-, 2-propenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxiraneoctanoic acid, 3-octyl-, 2-propenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Oxiraneoctanoic acid, 3-octyl-, 2-propenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.