AE-641/13832336
TL;DR: AE-641/13832336 (CAS 302950-87-4) is a chemical compound with molecular formula C17H20ClN7OS and molecular weight 405.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-(4-chlorophenyl)propan-1-one
Also Known As: AE-641/13832336, 2-((5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl)thio)-1-(4-chlorophenyl)propan-1-one, F0820-0517, 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-(4-chlorophenyl)propan-1-one, 2-[5,7-bis(ethylamino)(1,2,4-triazolo[4,5-a]1,3,5-triazin-3-ylthio)]-1-(4-chlo rophenyl)propan-1-one
| Molecular Formula | C17H20ClN7OS |
|---|---|
| Molecular Weight | 405.11 g/mol |
| LogP | 3.3998 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 405.11386 |
| Heavy Atoms | 27 |
| Complexity | 944.355 |
Chemical Identifiers
| CAS Number | 302950-87-4 |
|---|---|
| SMILES | CCNC1=NC2=NN=C(N2C(=N1)NCC)SC(C)C(=O)C3=CC=C(C=C3)Cl |
Product Overview
AE-641/13832336 (CAS 302950-87-4), with molecular formula C17H20ClN7OS and molecular weight 405.11 g/mol. IUPAC: 2-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-1-(4-chlorophenyl)propan-1-one.
Chemical Property Profile of AE-641/13832336
Property Insights of AE-641/13832336
The XLogP value of 3.3998 indicates that AE-641/13832336 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-641/13832336. Following Lipinski's Rule of Five, AE-641/13832336 has 2 hydrogen bond donor(s) and 8 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 AE-641/13832336?
The CAS number of AE-641/13832336 is 302950-87-4.
What is the molecular formula of AE-641/13832336?
The molecular formula of AE-641/13832336 is C17H20ClN7OS.
What is the molecular weight of AE-641/13832336?
The molecular weight of AE-641/13832336 is 405.11 g/mol.
Where can I buy AE-641/13832336?
You can request a quote for AE-641/13832336 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/13832336?
Yes, KEHONG BIO provides custom synthesis services for AE-641/13832336 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.