AF-399/42679608
TL;DR: AF-399/42679608 (CAS 677013-23-9) is a chemical compound with molecular formula C18H14ClN5OS and molecular weight 383.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[(3-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazine
Also Known As: AF-399/42679608, 2-[5-[[(3-Chlorophenyl)methyl]thio]-4-(2-furanylmethyl)-4H-1,2,4-triazol-3-yl]pyrazine, 2-{5-[(3-chlorobenzyl)sulfanyl]-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl}pyrazine, 2-(5-((3-chlorobenzyl)thio)-4-(furan-2-ylmethyl)-4H-1,2,4-triazol-3-yl)pyrazine, 2-[5-[(3-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazine
| Molecular Formula | C18H14ClN5OS |
|---|---|
| Molecular Weight | 383.06 g/mol |
| LogP | 4.3221 |
| Topological Polar Surface Area | 69.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.06076 |
| Heavy Atoms | 26 |
| Complexity | 988.0112 |
Chemical Identifiers
| CAS Number | 677013-23-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CSC2=NN=C(N2CC3=CC=CO3)C4=NC=CN=C4 |
Product Overview
AF-399/42679608 (CAS 677013-23-9), with molecular formula C18H14ClN5OS and molecular weight 383.06 g/mol. IUPAC: 2-[5-[(3-chlorophenyl)methylsulfanyl]-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]pyrazine.
Chemical Property Profile of AF-399/42679608
Property Insights of AF-399/42679608
The XLogP value of 4.3221 indicates that AF-399/42679608 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.63 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/42679608. Following Lipinski's Rule of Five, AF-399/42679608 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 AF-399/42679608?
The CAS number of AF-399/42679608 is 677013-23-9.
What is the molecular formula of AF-399/42679608?
The molecular formula of AF-399/42679608 is C18H14ClN5OS.
What is the molecular weight of AF-399/42679608?
The molecular weight of AF-399/42679608 is 383.06 g/mol.
Where can I buy AF-399/42679608?
You can request a quote for AF-399/42679608 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/42679608?
Yes, KEHONG BIO provides custom synthesis services for AF-399/42679608 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.