IFLab1_005912
TL;DR: IFLab1_005912 (CAS 124945-93-3) is a chemical compound with molecular formula C10H16N6S2 and molecular weight 284.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-methylsulfanyl-1,2,4-triazole
Also Known As: IFLab1_005912, IDI1_011315, 4-ethyl-3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-methylsulfanyl-1,2,4-triazole, 4,4'-diethyl-5,5'-bis(methylsulfanyl)-4H,4'H-3,3'-bi-1,2,4-triazole, 4,4'-diethyl-5,5'-bis(methylthio)-4H,4'H-3,3'-bi-1,2,4-triazole
| Molecular Formula | C10H16N6S2 |
|---|---|
| Molecular Weight | 284.09 g/mol |
| LogP | 2.0202 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.0878 |
| Heavy Atoms | 18 |
| Complexity | 484.20544 |
Chemical Identifiers
| CAS Number | 124945-93-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SC)C2=NN=C(N2CC)SC |
Product Overview
IFLab1_005912 (CAS 124945-93-3), with molecular formula C10H16N6S2 and molecular weight 284.09 g/mol. IUPAC: 4-ethyl-3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)-5-methylsulfanyl-1,2,4-triazole.
Chemical Property Profile of IFLab1_005912
Property Insights of IFLab1_005912
The XLogP value of 2.0202 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_005912. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_005912. Following Lipinski's Rule of Five, IFLab1_005912 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_005912?
The CAS number of IFLab1_005912 is 124945-93-3.
What is the molecular formula of IFLab1_005912?
The molecular formula of IFLab1_005912 is C10H16N6S2.
What is the molecular weight of IFLab1_005912?
The molecular weight of IFLab1_005912 is 284.09 g/mol.
Where can I buy IFLab1_005912?
You can request a quote for IFLab1_005912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_005912?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_005912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.