AJ-292/13047008
TL;DR: AJ-292/13047008 (CAS 352657-73-9) is a chemical compound with molecular formula C17H14N4OS2 and molecular weight 354.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-methylphenyl)-3-sulfanylidene-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),5,10(14)-trien-8-one
Also Known As: AJ-292/13047008, 4-(4-methylphenyl)-1-sulfanyl-7,8-dihydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one, 1-mercapto-4-(p-tolyl)-7,8-dihydro-4H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(6H)-one, 1-Mercapto-4-p-tolyl-7,8-dihydro-4H,6H-9-thia-2,3,4,9b-tetraaza-cyclopenta[b]-as-indacen-5-one, 4-(4-Methylphenyl)-1-sulfanylidene-2,4,7,8-tetrahydro-6H-cyclopenta[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
| Molecular Formula | C17H14N4OS2 |
|---|---|
| Molecular Weight | 354.06 g/mol |
| LogP | 3.55461 |
| Topological Polar Surface Area | 55.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 354.0609 |
| Heavy Atoms | 24 |
| Complexity | 1224.1636 |
Chemical Identifiers
| CAS Number | 352657-73-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NNC4=S)SC5=C3CCC5 |
Product Overview
AJ-292/13047008 (CAS 352657-73-9), with molecular formula C17H14N4OS2 and molecular weight 354.06 g/mol. IUPAC: 7-(4-methylphenyl)-3-sulfanylidene-15-thia-2,4,5,7-tetrazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),5,10(14)-trien-8-one.
Chemical Property Profile of AJ-292/13047008
Property Insights of AJ-292/13047008
The XLogP value of 3.55461 indicates that AJ-292/13047008 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.09 Ų, AJ-292/13047008 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/13047008 has 1 hydrogen bond donor(s) and 4 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-292/13047008?
The CAS number of AJ-292/13047008 is 352657-73-9.
What is the molecular formula of AJ-292/13047008?
The molecular formula of AJ-292/13047008 is C17H14N4OS2.
What is the molecular weight of AJ-292/13047008?
The molecular weight of AJ-292/13047008 is 354.06 g/mol.
Where can I buy AJ-292/13047008?
You can request a quote for AJ-292/13047008 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/13047008?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/13047008 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.