AF-399/40703804
TL;DR: AF-399/40703804 (CAS 315698-14-7) is a chemical compound with molecular formula C16H12N4O2S and molecular weight 324.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(1,3-benzodioxol-5-yl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
Also Known As: AF-399/40703804, 7-(1,3-benzodioxol-5-yl)-5-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine, 7-(1,3-benzodioxol-5-yl)-5-(2-thienyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine, 7-(1,3-benzodioxol-5-yl)-5-thiophen-2-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine, 2-(7-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-4,7,8-trihydro-1,2,4-triazolo[1,5-a]py rimidin-5-yl)thiophene
| Molecular Formula | C16H12N4O2S |
|---|---|
| Molecular Weight | 324.07 g/mol |
| LogP | 3.1243 |
| Topological Polar Surface Area | 61.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.06808 |
| Heavy Atoms | 23 |
| Complexity | 900.7083 |
Chemical Identifiers
| CAS Number | 315698-14-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3C=C(NC4=NC=NN34)C5=CC=CS5 |
Product Overview
AF-399/40703804 (CAS 315698-14-7), with molecular formula C16H12N4O2S and molecular weight 324.07 g/mol. IUPAC: 7-(1,3-benzodioxol-5-yl)-5-thiophen-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine.
Chemical Property Profile of AF-399/40703804
Property Insights of AF-399/40703804
The XLogP value of 3.1243 indicates that AF-399/40703804 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40703804. Following Lipinski's Rule of Five, AF-399/40703804 has 1 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-399/40703804?
The CAS number of AF-399/40703804 is 315698-14-7.
What is the molecular formula of AF-399/40703804?
The molecular formula of AF-399/40703804 is C16H12N4O2S.
What is the molecular weight of AF-399/40703804?
The molecular weight of AF-399/40703804 is 324.07 g/mol.
Where can I buy AF-399/40703804?
You can request a quote for AF-399/40703804 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40703804?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40703804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.