AJ-292/40857518
TL;DR: AJ-292/40857518 (CAS 372497-07-9) is a chemical compound with molecular formula C26H26N4O2S and molecular weight 458.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-[(4-methoxyphenyl)methyl]-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclohexane]-11-one
Also Known As: AJ-292/40857518, 1-mercapto-4-(4-methoxybenzyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one, 4-(4-methoxybenzyl)-1-sulfanyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one, 4-(4-methoxybenzyl)-1-sulfanyl-6,7-dihydrospiro(benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexane)-5(4H)-one
| Molecular Formula | C26H26N4O2S |
|---|---|
| Molecular Weight | 458.18 g/mol |
| LogP | 5.03549 |
| Topological Polar Surface Area | 64.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.17764 |
| Heavy Atoms | 33 |
| Complexity | 1473.1921 |
Chemical Identifiers
| CAS Number | 372497-07-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NNC6=S |
Product Overview
AJ-292/40857518 (CAS 372497-07-9), with molecular formula C26H26N4O2S and molecular weight 458.18 g/mol. IUPAC: 12-[(4-methoxyphenyl)methyl]-16-sulfanylidenespiro[12,14,15,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,13-pentaene-9,1'-cyclohexane]-11-one.
Chemical Property Profile of AJ-292/40857518
Property Insights of AJ-292/40857518
The XLogP value of 5.03549 indicates that AJ-292/40857518 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.32 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/40857518. Following Lipinski's Rule of Five, AJ-292/40857518 has 1 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-292/40857518?
The CAS number of AJ-292/40857518 is 372497-07-9.
What is the molecular formula of AJ-292/40857518?
The molecular formula of AJ-292/40857518 is C26H26N4O2S.
What is the molecular weight of AJ-292/40857518?
The molecular weight of AJ-292/40857518 is 458.18 g/mol.
Where can I buy AJ-292/40857518?
You can request a quote for AJ-292/40857518 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/40857518?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/40857518 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.