IFLab1_005134
TL;DR: IFLab1_005134 (CAS 500267-45-8) is a chemical compound with molecular formula C14H20N6S2 and molecular weight 336.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-(4-ethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-5-prop-2-enylsulfanyl-1,2,4-triazole
Also Known As: IFLab1_005134, AF-399/41508618, 5,5'-bis(allylthio)-4,4'-diethyl-4H,4'H-3,3'-bi(1,2,4-triazole), 4-ethyl-3-(4-ethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-5-prop-2-enylsulfanyl-1,2,4-triazole, F1259-0019
| Molecular Formula | C14H20N6S2 |
|---|---|
| Molecular Weight | 336.12 g/mol |
| LogP | 3.1326 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 336.11908 |
| Heavy Atoms | 22 |
| Complexity | 589.5489 |
Chemical Identifiers
| CAS Number | 500267-45-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC=C)C2=NN=C(N2CC)SCC=C |
Product Overview
IFLab1_005134 (CAS 500267-45-8), with molecular formula C14H20N6S2 and molecular weight 336.12 g/mol. IUPAC: 4-ethyl-3-(4-ethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)-5-prop-2-enylsulfanyl-1,2,4-triazole.
Chemical Property Profile of IFLab1_005134
Property Insights of IFLab1_005134
The XLogP value of 3.1326 indicates that IFLab1_005134 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005134. Following Lipinski's Rule of Five, IFLab1_005134 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IFLab1_005134?
The CAS number of IFLab1_005134 is 500267-45-8.
What is the molecular formula of IFLab1_005134?
The molecular formula of IFLab1_005134 is C14H20N6S2.
What is the molecular weight of IFLab1_005134?
The molecular weight of IFLab1_005134 is 336.12 g/mol.
Where can I buy IFLab1_005134?
You can request a quote for IFLab1_005134 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005134?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005134 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.