ChemDiv1_024440
TL;DR: ChemDiv1_024440 (CAS 337488-08-1) is a chemical compound with molecular formula C24H22N4OS and molecular weight 414.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-phenyl-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: ChemDiv1_024440, BAS 01312918, 1-mercapto-4-phenyl-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one, 4-phenyl-1-sulfanylspiro[4,6,7,12-tetrahydrobenzo[h]1,2,4-triazolo[4,3-a]quina zoline-6,1'-cyclohexane]-5-one, 4-phenyl-1-thioxo-2,4-dihydro-1H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
| Molecular Formula | C24H22N4OS |
|---|---|
| Molecular Weight | 414.15 g/mol |
| LogP | 4.96779 |
| Topological Polar Surface Area | 55.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 414.15143 |
| Heavy Atoms | 30 |
| Complexity | 1390.4911 |
Chemical Identifiers
| CAS Number | 337488-08-1 |
|---|---|
| SMILES | C1CCC2(CC1)CC3=CC=CC=C3C4=C2C(=O)N(C5=NNC(=S)N45)C6=CC=CC=C6 |
Product Overview
ChemDiv1_024440 (CAS 337488-08-1), with molecular formula C24H22N4OS and molecular weight 414.15 g/mol. IUPAC: 12-phenyl-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 ChemDiv1_024440
Property Insights of ChemDiv1_024440
The XLogP value of 4.96779 indicates that ChemDiv1_024440 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.09 Ų, ChemDiv1_024440 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_024440 has 1 hydrogen bond donor(s) and 3 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 ChemDiv1_024440?
The CAS number of ChemDiv1_024440 is 337488-08-1.
What is the molecular formula of ChemDiv1_024440?
The molecular formula of ChemDiv1_024440 is C24H22N4OS.
What is the molecular weight of ChemDiv1_024440?
The molecular weight of ChemDiv1_024440 is 414.15 g/mol.
Where can I buy ChemDiv1_024440?
You can request a quote for ChemDiv1_024440 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024440?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024440 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.