AE-641/40792411
TL;DR: AE-641/40792411 (CAS 315683-03-5) is a chemical compound with molecular formula C22H19N5S2 and molecular weight 417.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Also Known As: AE-641/40792411, F0863-0249, 11-methyl-3-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5-tetraene, 7-methyl-4-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidine, 7-methyl-4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
| Molecular Formula | C22H19N5S2 |
|---|---|
| Molecular Weight | 417.11 g/mol |
| LogP | 5.47162 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 417.1082 |
| Heavy Atoms | 29 |
| Complexity | 1401.1631 |
Chemical Identifiers
| CAS Number | 315683-03-5 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=NC=N3)SC4=NN=C5N4C6=CC=CC=C6C(=C5)C |
Product Overview
AE-641/40792411 (CAS 315683-03-5), with molecular formula C22H19N5S2 and molecular weight 417.11 g/mol. IUPAC: 7-methyl-4-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine.
Chemical Property Profile of AE-641/40792411
Property Insights of AE-641/40792411
The XLogP value of 5.47162 indicates that AE-641/40792411 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.97 Ų, AE-641/40792411 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AE-641/40792411 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AE-641/40792411?
The CAS number of AE-641/40792411 is 315683-03-5.
What is the molecular formula of AE-641/40792411?
The molecular formula of AE-641/40792411 is C22H19N5S2.
What is the molecular weight of AE-641/40792411?
The molecular weight of AE-641/40792411 is 417.11 g/mol.
Where can I buy AE-641/40792411?
You can request a quote for AE-641/40792411 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-641/40792411?
Yes, KEHONG BIO provides custom synthesis services for AE-641/40792411 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.