ChemDiv1_024619
TL;DR: ChemDiv1_024619 (CAS 374094-31-2) is a chemical compound with molecular formula C25H24N4O and molecular weight 396.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-(3-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: ChemDiv1_024619, AB00520541-08, 4-(3-methylphenyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one, A2745/0116654, 4-(m-tolyl)-4H-spiro[benzo[h][1,2,4]triazolo[4,3-a]quinazoline-6,1'-cyclohexan]-5(7H)-one
| Molecular Formula | C25H24N4O |
|---|---|
| Molecular Weight | 396.19 g/mol |
| LogP | 4.61362 |
| Topological Polar Surface Area | 52.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 396.195 |
| Heavy Atoms | 30 |
| Complexity | 1341.0201 |
Chemical Identifiers
| CAS Number | 374094-31-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(C4=CC=CC=C4CC35CCCCC5)N6C2=NN=C6 |
Product Overview
ChemDiv1_024619 (CAS 374094-31-2), with molecular formula C25H24N4O and molecular weight 396.19 g/mol. IUPAC: 12-(3-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 ChemDiv1_024619
Property Insights of ChemDiv1_024619
The XLogP value of 4.61362 indicates that ChemDiv1_024619 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.19 Ų, ChemDiv1_024619 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_024619 has 0 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_024619?
The CAS number of ChemDiv1_024619 is 374094-31-2.
What is the molecular formula of ChemDiv1_024619?
The molecular formula of ChemDiv1_024619 is C25H24N4O.
What is the molecular weight of ChemDiv1_024619?
The molecular weight of ChemDiv1_024619 is 396.19 g/mol.
Where can I buy ChemDiv1_024619?
You can request a quote for ChemDiv1_024619 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024619?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024619 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.