AF-399/40702931
TL;DR: AF-399/40702931 (CAS 384849-40-5) is a chemical compound with molecular formula C18H13N3O3S and molecular weight 351.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)-2-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one
Also Known As: AF-399/40702931, 5-(1,3-benzodioxol-5-yl)-2-phenyl-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one, 5-(1,3-benzodioxol-5-yl)-2-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one, 5-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-phenyl-5H,6H-1,2,4-triazolo[5,1-b]1,3-t hiazaperhydroin-7-one, 5-(benzo[d][1,3]dioxol-5-yl)-2-phenyl-5H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7(6H)-one
| Molecular Formula | C18H13N3O3S |
|---|---|
| Molecular Weight | 351.07 g/mol |
| LogP | 3.5511 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 351.06775 |
| Heavy Atoms | 25 |
| Complexity | 970.9526 |
Chemical Identifiers
| CAS Number | 384849-40-5 |
|---|---|
| SMILES | C1C(SC2=NC(=NN2C1=O)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5 |
Product Overview
AF-399/40702931 (CAS 384849-40-5), with molecular formula C18H13N3O3S and molecular weight 351.07 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-2-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one.
Chemical Property Profile of AF-399/40702931
Property Insights of AF-399/40702931
The XLogP value of 3.5511 indicates that AF-399/40702931 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40702931. Following Lipinski's Rule of Five, AF-399/40702931 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-399/40702931?
The CAS number of AF-399/40702931 is 384849-40-5.
What is the molecular formula of AF-399/40702931?
The molecular formula of AF-399/40702931 is C18H13N3O3S.
What is the molecular weight of AF-399/40702931?
The molecular weight of AF-399/40702931 is 351.07 g/mol.
Where can I buy AF-399/40702931?
You can request a quote for AF-399/40702931 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40702931?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40702931 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.