AJ-292/13328036
TL;DR: AJ-292/13328036 (CAS 354992-44-2) is a chemical compound with molecular formula C25H22N4O2S2 and molecular weight 474.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-7-(4-methoxyphenyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one
Also Known As: AJ-292/13328036, 1-(benzylsulfanyl)-4-(4-methoxyphenyl)-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 1-(benzylthio)-4-(4-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
| Molecular Formula | C25H22N4O2S2 |
|---|---|
| Molecular Weight | 474.12 g/mol |
| LogP | 5.2746 |
| Topological Polar Surface Area | 61.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.1184 |
| Heavy Atoms | 33 |
| Complexity | 1518.1462 |
Chemical Identifiers
| CAS Number | 354992-44-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC5=CC=CC=C5)SC6=C3CCCC6 |
Product Overview
AJ-292/13328036 (CAS 354992-44-2), with molecular formula C25H22N4O2S2 and molecular weight 474.12 g/mol. IUPAC: 3-benzylsulfanyl-7-(4-methoxyphenyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one.
Chemical Property Profile of AJ-292/13328036
Property Insights of AJ-292/13328036
The XLogP value of 5.2746 indicates that AJ-292/13328036 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.42 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/13328036. Following Lipinski's Rule of Five, AJ-292/13328036 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-292/13328036?
The CAS number of AJ-292/13328036 is 354992-44-2.
What is the molecular formula of AJ-292/13328036?
The molecular formula of AJ-292/13328036 is C25H22N4O2S2.
What is the molecular weight of AJ-292/13328036?
The molecular weight of AJ-292/13328036 is 474.12 g/mol.
Where can I buy AJ-292/13328036?
You can request a quote for AJ-292/13328036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/13328036?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/13328036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.