AJ-292/40857558
TL;DR: AJ-292/40857558 (CAS 372502-27-7) is a chemical compound with molecular formula C30H34N4OS and molecular weight 498.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-(3-methylbutylsulfanyl)-12-(2-methylphenyl)spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one
Also Known As: AJ-292/40857558, 1-(isopentylsulfanyl)-4-(2-methylphenyl)-6,7-dihydrospiro(benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexane)-5(4H)-one, 1-(isopentylthio)-4-(o-tolyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one, 16-(3-Methylbutylsulfanyl)-12-(2-methylphenyl)spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one, 1-[(3-methylbutyl)sulfanyl]-4-(2-methylphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
| Molecular Formula | C30H34N4OS |
|---|---|
| Molecular Weight | 498.25 g/mol |
| LogP | 6.75182 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.24533 |
| Heavy Atoms | 36 |
| Complexity | 1492.854 |
Chemical Identifiers
| CAS Number | 372502-27-7 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6SCCC(C)C |
Product Overview
AJ-292/40857558 (CAS 372502-27-7), with molecular formula C30H34N4OS and molecular weight 498.25 g/mol. IUPAC: 16-(3-methylbutylsulfanyl)-12-(2-methylphenyl)spiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13,15-hexaene-9,1'-cyclohexane]-11-one.
Chemical Property Profile of AJ-292/40857558
Property Insights of AJ-292/40857558
The XLogP value of 6.75182 indicates that AJ-292/40857558 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, AJ-292/40857558 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/40857558 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AJ-292/40857558?
The CAS number of AJ-292/40857558 is 372502-27-7.
What is the molecular formula of AJ-292/40857558?
The molecular formula of AJ-292/40857558 is C30H34N4OS.
What is the molecular weight of AJ-292/40857558?
The molecular weight of AJ-292/40857558 is 498.25 g/mol.
Where can I buy AJ-292/40857558?
You can request a quote for AJ-292/40857558 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/40857558?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/40857558 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.