6,7-Epoxyoctadecanoic acid methyl ester
TL;DR: 6,7-Epoxyoctadecanoic acid methyl ester (CAS 67101-29-5) is a chemical compound with molecular formula C19H36O3 and molecular weight 312.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(3-undecyloxiran-2-yl)pentanoate
Also Known As: Methyl-6,7-epoxyoctadecanoat, 6,7-Epoxyoctadecanoic acid methyl ester, methyl 5-(3-undecyloxiran-2-yl)pentanoate, 3-Undecyloxiranepentanoic acid methyl ester, Methyl 5-(3-undecyl-2-oxiranyl)pentanoate
| Molecular Formula | C19H36O3 |
|---|---|
| Molecular Weight | 312.27 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 312.26645 |
| Heavy Atoms | 22 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 67101-29-5 |
|---|---|
| SMILES | CCCCCCCCCCCC1C(O1)CCCCC(=O)OC |
| InChIKey | XZBRNQGAEDOQPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,7-Epoxyoctadecanoic acid methyl ester (CAS 67101-29-5), with molecular formula C19H36O3 and molecular weight 312.27 g/mol. IUPAC: methyl 5-(3-undecyloxiran-2-yl)pentanoate.
Chemical Property Profile of 6,7-Epoxyoctadecanoic acid methyl ester
Property Insights of 6,7-Epoxyoctadecanoic acid methyl ester
The XLogP value of 6.5 indicates that 6,7-Epoxyoctadecanoic acid methyl 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, 6,7-Epoxyoctadecanoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Epoxyoctadecanoic acid methyl 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 6,7-Epoxyoctadecanoic acid methyl ester?
The CAS number of 6,7-Epoxyoctadecanoic acid methyl ester is 67101-29-5.
What is the molecular formula of 6,7-Epoxyoctadecanoic acid methyl ester?
The molecular formula of 6,7-Epoxyoctadecanoic acid methyl ester is C19H36O3.
What is the molecular weight of 6,7-Epoxyoctadecanoic acid methyl ester?
The molecular weight of 6,7-Epoxyoctadecanoic acid methyl ester is 312.27 g/mol.
Where can I buy 6,7-Epoxyoctadecanoic acid methyl ester?
You can request a quote for 6,7-Epoxyoctadecanoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Epoxyoctadecanoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Epoxyoctadecanoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.