Propan-2-yl 8-(3-octyloxiran-2-yl)octanoate
TL;DR: Propan-2-yl 8-(3-octyloxiran-2-yl)octanoate (CAS 95007-80-0) is a chemical compound with molecular formula C21H40O3 and molecular weight 340.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 8-(3-octyloxiran-2-yl)octanoate
Also Known As: propan-2-yl 8-(3-octyloxiran-2-yl)octanoate, Isopropyl 8-(3-octyl-2-oxiranyl)octanoate, 9,10-Epoxyoctadecanoic acid isopropyl ester, Octadecanoic acid, 9,10-epoxy-, isopropyl ester, Isopropyl 8-(3-octyl-2-oxiranyl)octanoate #
| Molecular Formula | C21H40O3 |
|---|---|
| Molecular Weight | 340.30 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 340.29776 |
| Heavy Atoms | 24 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 95007-80-0 |
|---|---|
| SMILES | CCCCCCCCC1C(O1)CCCCCCCC(=O)OC(C)C |
| InChIKey | KTOXFGSORDAWNM-UHFFFAOYSA-N |
Product Overview
Propan-2-yl 8-(3-octyloxiran-2-yl)octanoate (CAS 95007-80-0), with molecular formula C21H40O3 and molecular weight 340.30 g/mol. IUPAC: propan-2-yl 8-(3-octyloxiran-2-yl)octanoate.
Chemical Property Profile of Propan-2-yl 8-(3-octyloxiran-2-yl)octanoate
Property Insights of Propan-2-yl 8-(3-octyloxiran-2-yl)octanoate
The XLogP value of 7.3 indicates that Propan-2-yl 8-(3-octyloxiran-2-yl)octanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.8 Ų, Propan-2-yl 8-(3-octyloxiran-2-yl)octanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propan-2-yl 8-(3-octyloxiran-2-yl)octanoate 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 Propan-2-yl 8-(3-octyloxiran-2-yl)octanoate?
The CAS number of Propan-2-yl 8-(3-octyloxiran-2-yl)octanoate is 95007-80-0.
What is the molecular formula of Propan-2-yl 8-(3-octyloxiran-2-yl)octanoate?
The molecular formula of Propan-2-yl 8-(3-octyloxiran-2-yl)octanoate is C21H40O3.
What is the molecular weight of Propan-2-yl 8-(3-octyloxiran-2-yl)octanoate?
The molecular weight of Propan-2-yl 8-(3-octyloxiran-2-yl)octanoate is 340.30 g/mol.
Where can I buy Propan-2-yl 8-(3-octyloxiran-2-yl)octanoate?
You can request a quote for Propan-2-yl 8-(3-octyloxiran-2-yl)octanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 8-(3-octyloxiran-2-yl)octanoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 8-(3-octyloxiran-2-yl)octanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.