AF-399/37330007
TL;DR: AF-399/37330007 (CAS 314244-74-1) is a chemical compound with molecular formula C22H17FN4OS2 and molecular weight 436.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone
Also Known As: AF-399/37330007, 1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone, 1-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)ethanone, 1-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylthio)ethanone, 1-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-{7-thia-2,4,5-triazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaen-3-ylsulfanyl}ethan-1-one
| Molecular Formula | C22H17FN4OS2 |
|---|---|
| Molecular Weight | 436.08 g/mol |
| LogP | 5.46564 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 436.0828 |
| Heavy Atoms | 30 |
| Complexity | 1415.584 |
Chemical Identifiers
| CAS Number | 314244-74-1 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2F)C)C(=O)CSC3=NN=C4N3C5=CC=CC=C5S4 |
Product Overview
AF-399/37330007 (CAS 314244-74-1), with molecular formula C22H17FN4OS2 and molecular weight 436.08 g/mol. IUPAC: 1-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanyl)ethanone.
Chemical Property Profile of AF-399/37330007
Property Insights of AF-399/37330007
The XLogP value of 5.46564 indicates that AF-399/37330007 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, AF-399/37330007 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AF-399/37330007 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/37330007?
The CAS number of AF-399/37330007 is 314244-74-1.
What is the molecular formula of AF-399/37330007?
The molecular formula of AF-399/37330007 is C22H17FN4OS2.
What is the molecular weight of AF-399/37330007?
The molecular weight of AF-399/37330007 is 436.08 g/mol.
Where can I buy AF-399/37330007?
You can request a quote for AF-399/37330007 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/37330007?
Yes, KEHONG BIO provides custom synthesis services for AF-399/37330007 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.