1H-1,2,4-Triazole, 1-(1-oxooctadecyl)-
TL;DR: 1H-1,2,4-Triazole, 1-(1-oxooctadecyl)- (CAS 60718-55-0) is a chemical compound with molecular formula C20H37N3O and molecular weight 335.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,2,4-triazol-1-yl)octadecan-1-one
Also Known As: 1-Stearoyl-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 1-(1-oxooctadecyl)-, 1H-1,2,4-Triazole,1-octadecanoyl, 1-Stearoyl-1H-1,2,4-triazole #, 1-(1,2,4-triazol-1-yl)octadecan-1-one
| Molecular Formula | C20H37N3O |
|---|---|
| Molecular Weight | 335.29 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 335.29367 |
| Heavy Atoms | 24 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 60718-55-0 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)N1C=NC=N1 |
| InChIKey | AWFIQQPKTAGLLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-1,2,4-Triazole, 1-(1-oxooctadecyl)- (CAS 60718-55-0), with molecular formula C20H37N3O and molecular weight 335.29 g/mol. IUPAC: 1-(1,2,4-triazol-1-yl)octadecan-1-one.
Chemical Property Profile of 1H-1,2,4-Triazole, 1-(1-oxooctadecyl)-
Property Insights of 1H-1,2,4-Triazole, 1-(1-oxooctadecyl)-
The XLogP value of 8.3 indicates that 1H-1,2,4-Triazole, 1-(1-oxooctadecyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.8 Ų, 1H-1,2,4-Triazole, 1-(1-oxooctadecyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 1-(1-oxooctadecyl)- 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 1H-1,2,4-Triazole, 1-(1-oxooctadecyl)-?
The CAS number of 1H-1,2,4-Triazole, 1-(1-oxooctadecyl)- is 60718-55-0.
What is the molecular formula of 1H-1,2,4-Triazole, 1-(1-oxooctadecyl)-?
The molecular formula of 1H-1,2,4-Triazole, 1-(1-oxooctadecyl)- is C20H37N3O.
What is the molecular weight of 1H-1,2,4-Triazole, 1-(1-oxooctadecyl)-?
The molecular weight of 1H-1,2,4-Triazole, 1-(1-oxooctadecyl)- is 335.29 g/mol.
Where can I buy 1H-1,2,4-Triazole, 1-(1-oxooctadecyl)-?
You can request a quote for 1H-1,2,4-Triazole, 1-(1-oxooctadecyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole, 1-(1-oxooctadecyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 1-(1-oxooctadecyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.