AJ-292/40857533
TL;DR: AJ-292/40857533 (CAS 374104-38-8) is a chemical compound with molecular formula C33H32N4OS and molecular weight 532.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
16-benzylsulfanyl-12-(2-phenylethyl)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-292/40857533, 1-(benzylsulfanyl)-4-(2-phenylethyl)-6,7-dihydrospiro(benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexane)-5(4H)-one, 1-(benzylthio)-4-phenethyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one, 16-Benzylsulfanyl-12-(2-phenylethyl)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-(benzylsulfanyl)-4-(2-phenylethyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
| Molecular Formula | C33H32N4OS |
|---|---|
| Molecular Weight | 532.23 g/mol |
| LogP | 6.851 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.2297 |
| Heavy Atoms | 39 |
| Complexity | 1684.2147 |
Chemical Identifiers
| CAS Number | 374104-38-8 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C5=NN=C(N45)SCC6=CC=CC=C6)CCC7=CC=CC=C7 |
Product Overview
AJ-292/40857533 (CAS 374104-38-8), with molecular formula C33H32N4OS and molecular weight 532.23 g/mol. IUPAC: 16-benzylsulfanyl-12-(2-phenylethyl)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-292/40857533
Property Insights of AJ-292/40857533
The XLogP value of 6.851 indicates that AJ-292/40857533 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-292/40857533 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AJ-292/40857533 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-292/40857533?
The CAS number of AJ-292/40857533 is 374104-38-8.
What is the molecular formula of AJ-292/40857533?
The molecular formula of AJ-292/40857533 is C33H32N4OS.
What is the molecular weight of AJ-292/40857533?
The molecular weight of AJ-292/40857533 is 532.23 g/mol.
Where can I buy AJ-292/40857533?
You can request a quote for AJ-292/40857533 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/40857533?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/40857533 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.