2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole
TL;DR: 2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole (CAS 38978-80-2) is a chemical compound with molecular formula C22H43NO and molecular weight 337.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptadecyl-4,4-dimethyl-5H-1,3-oxazole
Also Known As: Octadecanoic acid, DMOX derivative, 4,4-dimethyl-2-heptadecyl-2-oxazoline, 2-heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole, 2-Heptadecyl-4,4-dimethyl-2-oxazoline, 2-heptadecyl-4,4-dimethyl-5H-1,3-oxazole
| Molecular Formula | C22H43NO |
|---|---|
| Molecular Weight | 337.33 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 337.33447 |
| Heavy Atoms | 24 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 38978-80-2 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC1=NC(CO1)(C)C |
| InChIKey | NVSOSXIRJQBCAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole (CAS 38978-80-2), with molecular formula C22H43NO and molecular weight 337.33 g/mol. IUPAC: 2-heptadecyl-4,4-dimethyl-5H-1,3-oxazole.
Chemical Property Profile of 2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole
Property Insights of 2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole
The XLogP value of 8.8 indicates that 2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.6 Ų, 2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole?
The CAS number of 2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole is 38978-80-2.
What is the molecular formula of 2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole?
The molecular formula of 2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole is C22H43NO.
What is the molecular weight of 2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole?
The molecular weight of 2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole is 337.33 g/mol.
Where can I buy 2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole?
You can request a quote for 2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1,3-oxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.