AJ-292/13328041
TL;DR: AJ-292/13328041 (CAS 372083-16-4) is a chemical compound with molecular formula C22H22N4O4S2 and molecular weight 470.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[7-(4-methoxyphenyl)-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetate
Also Known As: AJ-292/13328041, ethyl 2-((4-(4-methoxyphenyl)-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetate, Ethyl 2-[[7-(4-methoxyphenyl)-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetate, ethyl {[4-(4-methoxyphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}acetate, ethyl{[4-(4-methoxyphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]thio}acetate
| Molecular Formula | C22H22N4O4S2 |
|---|---|
| Molecular Weight | 470.11 g/mol |
| LogP | 3.6375 |
| Topological Polar Surface Area | 87.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.10825 |
| Heavy Atoms | 32 |
| Complexity | 1371.0947 |
Chemical Identifiers
| CAS Number | 372083-16-4 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C2N1C3=C(C4=C(S3)CCCC4)C(=O)N2C5=CC=C(C=C5)OC |
Product Overview
AJ-292/13328041 (CAS 372083-16-4), with molecular formula C22H22N4O4S2 and molecular weight 470.11 g/mol. IUPAC: ethyl 2-[[7-(4-methoxyphenyl)-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl]sulfanyl]acetate.
Chemical Property Profile of AJ-292/13328041
Property Insights of AJ-292/13328041
The XLogP value of 3.6375 indicates that AJ-292/13328041 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.72 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/13328041. Following Lipinski's Rule of Five, AJ-292/13328041 has 0 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 AJ-292/13328041?
The CAS number of AJ-292/13328041 is 372083-16-4.
What is the molecular formula of AJ-292/13328041?
The molecular formula of AJ-292/13328041 is C22H22N4O4S2.
What is the molecular weight of AJ-292/13328041?
The molecular weight of AJ-292/13328041 is 470.11 g/mol.
Where can I buy AJ-292/13328041?
You can request a quote for AJ-292/13328041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/13328041?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/13328041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.