ChemDiv3_012562
TL;DR: ChemDiv3_012562 (CAS 688792-69-0) is a chemical compound with molecular formula C25H22N4OS and molecular weight 426.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-ethyl-N-(3-methylphenyl)acetamide
Also Known As: ChemDiv3_012562, BRD-K65252565-001-01-9, F6548-3426, N-ethyl-N-(3-methylphenyl)-2-{8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2,4,6,8,11(16),12,14-octaen-9-ylsulfanyl}acetamide, 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-ethyl-N-(3-methylphenyl)acetamide
| Molecular Formula | C25H22N4OS |
|---|---|
| Molecular Weight | 426.15 g/mol |
| LogP | 5.48932 |
| Topological Polar Surface Area | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.15143 |
| Heavy Atoms | 31 |
| Complexity | 1425.5624 |
Chemical Identifiers
| CAS Number | 688792-69-0 |
|---|---|
| SMILES | CCN(C1=CC=CC(=C1)C)C(=O)CSC2=NC3=CC=CC=C3C4=NC5=CC=CC=C5N42 |
Product Overview
ChemDiv3_012562 (CAS 688792-69-0), with molecular formula C25H22N4OS and molecular weight 426.15 g/mol. IUPAC: 2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-ethyl-N-(3-methylphenyl)acetamide.
Chemical Property Profile of ChemDiv3_012562
Property Insights of ChemDiv3_012562
The XLogP value of 5.48932 indicates that ChemDiv3_012562 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.5 Ų, ChemDiv3_012562 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_012562 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 ChemDiv3_012562?
The CAS number of ChemDiv3_012562 is 688792-69-0.
What is the molecular formula of ChemDiv3_012562?
The molecular formula of ChemDiv3_012562 is C25H22N4OS.
What is the molecular weight of ChemDiv3_012562?
The molecular weight of ChemDiv3_012562 is 426.15 g/mol.
Where can I buy ChemDiv3_012562?
You can request a quote for ChemDiv3_012562 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_012562?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_012562 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.