AF-399/41508619
TL;DR: AF-399/41508619 (CAS 500267-46-9) is a chemical compound with molecular formula C16H24N6O4S2 and molecular weight 428.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-[5-(2-ethoxy-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: AF-399/41508619, diethyl 2,2'-((4,4'-diethyl-4H,4'H-[3,3'-bi(1,2,4-triazole)]-5,5'-diyl)bis(sulfanediyl))diacetate, F1259-0021, 5,5'-bis{3-[(2-ethoxy-2-oxoethyl)thio]-4-ethyl-4H-1,2,4-triazole}, ethyl 2-[(5-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-ethyl-4H-1,2,4-triazol-3-yl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetate
| Molecular Formula | C16H24N6O4S2 |
|---|---|
| Molecular Weight | 428.13 g/mol |
| LogP | 1.8868 |
| Topological Polar Surface Area | 114.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 428.13004 |
| Heavy Atoms | 28 |
| Complexity | 740.90485 |
Chemical Identifiers
| CAS Number | 500267-46-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)OCC)C2=NN=C(N2CC)SCC(=O)OCC |
Product Overview
AF-399/41508619 (CAS 500267-46-9), with molecular formula C16H24N6O4S2 and molecular weight 428.13 g/mol. IUPAC: ethyl 2-[[5-[5-(2-ethoxy-2-oxoethyl)sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of AF-399/41508619
Property Insights of AF-399/41508619
The XLogP value of 1.8868 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/41508619. The TPSA of 114.02 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41508619. Following Lipinski's Rule of Five, AF-399/41508619 has 0 hydrogen bond donor(s) and 10 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 AF-399/41508619?
The CAS number of AF-399/41508619 is 500267-46-9.
What is the molecular formula of AF-399/41508619?
The molecular formula of AF-399/41508619 is C16H24N6O4S2.
What is the molecular weight of AF-399/41508619?
The molecular weight of AF-399/41508619 is 428.13 g/mol.
Where can I buy AF-399/41508619?
You can request a quote for AF-399/41508619 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41508619?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41508619 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.