AJ-292/40706660
TL;DR: AJ-292/40706660 (CAS 375841-69-3) is a chemical compound with molecular formula C20H17ClN4OS2 and molecular weight 428.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[(13-methyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]ethanone
Also Known As: AJ-292/40706660, 1-(4-chlorophenyl)-2-[(9-methyl-8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]ethanone, 1-(4-chlorophenyl)-2-((9-methyl-8,9,10,11-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)thio)ethanone, 1-(4-chlorophenyl)-2-[(13-methyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]ethanone
| Molecular Formula | C20H17ClN4OS2 |
|---|---|
| Molecular Weight | 428.05 g/mol |
| LogP | 5.0922 |
| Topological Polar Surface Area | 60.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.05322 |
| Heavy Atoms | 28 |
| Complexity | 1198.5876 |
Chemical Identifiers
| CAS Number | 375841-69-3 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C4=NN=C(N4C=N3)SCC(=O)C5=CC=C(C=C5)Cl |
Product Overview
AJ-292/40706660 (CAS 375841-69-3), with molecular formula C20H17ClN4OS2 and molecular weight 428.05 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[(13-methyl-10-thia-3,4,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaen-5-yl)sulfanyl]ethanone.
Chemical Property Profile of AJ-292/40706660
Property Insights of AJ-292/40706660
The XLogP value of 5.0922 indicates that AJ-292/40706660 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.15 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/40706660. Following Lipinski's Rule of Five, AJ-292/40706660 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 AJ-292/40706660?
The CAS number of AJ-292/40706660 is 375841-69-3.
What is the molecular formula of AJ-292/40706660?
The molecular formula of AJ-292/40706660 is C20H17ClN4OS2.
What is the molecular weight of AJ-292/40706660?
The molecular weight of AJ-292/40706660 is 428.05 g/mol.
Where can I buy AJ-292/40706660?
You can request a quote for AJ-292/40706660 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/40706660?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/40706660 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.