Octadecanoic acid, (4-ethyl-2-heptadecyl-4,5-dihydro-4-oxazolyl)methyl ester
TL;DR: Octadecanoic acid, (4-ethyl-2-heptadecyl-4,5-dihydro-4-oxazolyl)methyl ester (CAS 68133-36-8) is a chemical compound with molecular formula C41H79NO3 and molecular weight 633.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethyl-2-heptadecyl-5H-1,3-oxazol-4-yl)methyl octadecanoate
Also Known As: METHYLSTEARATE, 2-Heptadecyl-4-ethyl-4-stearoxymethyl-2-oxazoline, Octadecanoic acid, (4-ethyl-2-heptadecyl-4,5-dihydro-4-oxazolyl)methyl ester, (4-ethyl-2-heptadecyl-4,5-dihydro-1,3-oxazol-4-yl)methyl stearate, (4-Ethyl-2-heptadecyl-4,5-dihydrooxazol-4-yl)methyl stearate
| Molecular Formula | C41H79NO3 |
|---|---|
| Molecular Weight | 633.61 g/mol |
| LogP | 17.3 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 36 |
| Exact Mass | 633.606 |
| Heavy Atoms | 45 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 68133-36-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=NC(CO1)(CC)COC(=O)CCCCCCCCCCCCCCCCC |
| InChIKey | RABTYWWXOMZNAP-UHFFFAOYSA-N |
Product Overview
Octadecanoic acid, (4-ethyl-2-heptadecyl-4,5-dihydro-4-oxazolyl)methyl ester (CAS 68133-36-8), with molecular formula C41H79NO3 and molecular weight 633.61 g/mol. IUPAC: (4-ethyl-2-heptadecyl-5H-1,3-oxazol-4-yl)methyl octadecanoate.
Chemical Property Profile of Octadecanoic acid, (4-ethyl-2-heptadecyl-4,5-dihydro-4-oxazolyl)methyl ester
Property Insights of Octadecanoic acid, (4-ethyl-2-heptadecyl-4,5-dihydro-4-oxazolyl)methyl ester
The XLogP value of 17.3 indicates that Octadecanoic acid, (4-ethyl-2-heptadecyl-4,5-dihydro-4-oxazolyl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, Octadecanoic acid, (4-ethyl-2-heptadecyl-4,5-dihydro-4-oxazolyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecanoic acid, (4-ethyl-2-heptadecyl-4,5-dihydro-4-oxazolyl)methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octadecanoic acid, (4-ethyl-2-heptadecyl-4,5-dihydro-4-oxazolyl)methyl ester?
The CAS number of Octadecanoic acid, (4-ethyl-2-heptadecyl-4,5-dihydro-4-oxazolyl)methyl ester is 68133-36-8.
What is the molecular formula of Octadecanoic acid, (4-ethyl-2-heptadecyl-4,5-dihydro-4-oxazolyl)methyl ester?
The molecular formula of Octadecanoic acid, (4-ethyl-2-heptadecyl-4,5-dihydro-4-oxazolyl)methyl ester is C41H79NO3.
What is the molecular weight of Octadecanoic acid, (4-ethyl-2-heptadecyl-4,5-dihydro-4-oxazolyl)methyl ester?
The molecular weight of Octadecanoic acid, (4-ethyl-2-heptadecyl-4,5-dihydro-4-oxazolyl)methyl ester is 633.61 g/mol.
Where can I buy Octadecanoic acid, (4-ethyl-2-heptadecyl-4,5-dihydro-4-oxazolyl)methyl ester?
You can request a quote for Octadecanoic acid, (4-ethyl-2-heptadecyl-4,5-dihydro-4-oxazolyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecanoic acid, (4-ethyl-2-heptadecyl-4,5-dihydro-4-oxazolyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Octadecanoic acid, (4-ethyl-2-heptadecyl-4,5-dihydro-4-oxazolyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.