AF-399/40806286
TL;DR: AF-399/40806286 (CAS 500198-73-2) is a chemical compound with molecular formula C14H9FN4S2 and molecular weight 316.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(4-fluorophenyl)-11-methyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-5-thione
Also Known As: AF-399/40806286, F1174-3136, 9-(4-fluorophenyl)-8-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-3(2H)-thione, 12-(4-fluorophenyl)-11-methyl-10-thia-3,4,6,8-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,7,11-tetraene-5-thione, 9-(4-fluorophenyl)-8-methylthieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidine-3-thiol
| Molecular Formula | C14H9FN4S2 |
|---|---|
| Molecular Weight | 316.03 g/mol |
| LogP | 4.11611 |
| Topological Polar Surface Area | 45.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.02527 |
| Heavy Atoms | 21 |
| Complexity | 1026.925 |
Chemical Identifiers
| CAS Number | 500198-73-2 |
|---|---|
| SMILES | CC1=C(C2=C(S1)N=CN3C2=NNC3=S)C4=CC=C(C=C4)F |
Product Overview
AF-399/40806286 (CAS 500198-73-2), with molecular formula C14H9FN4S2 and molecular weight 316.03 g/mol. IUPAC: 12-(4-fluorophenyl)-11-methyl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-5-thione.
Chemical Property Profile of AF-399/40806286
Property Insights of AF-399/40806286
The XLogP value of 4.11611 indicates that AF-399/40806286 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.98 Ų, AF-399/40806286 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/40806286 has 1 hydrogen bond donor(s) and 4 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-399/40806286?
The CAS number of AF-399/40806286 is 500198-73-2.
What is the molecular formula of AF-399/40806286?
The molecular formula of AF-399/40806286 is C14H9FN4S2.
What is the molecular weight of AF-399/40806286?
The molecular weight of AF-399/40806286 is 316.03 g/mol.
Where can I buy AF-399/40806286?
You can request a quote for AF-399/40806286 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40806286?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40806286 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.