ChemDiv1_026735
TL;DR: ChemDiv1_026735 (CAS 440322-55-4) is a chemical compound with molecular formula C25H20FN5OS and molecular weight 457.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(4-fluorophenyl)piperazin-1-yl]-(6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazolin-3-yl)methanone
Also Known As: ChemDiv1_026735, DivK1c_004479, CDS1_003439, F0916-4150, 5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-8,10,17-triazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(17),2,4,6,11(16),12,14-heptaene-9-thione
| Molecular Formula | C25H20FN5OS |
|---|---|
| Molecular Weight | 457.14 g/mol |
| LogP | 4.79979 |
| Topological Polar Surface Area | 56.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 457.13727 |
| Heavy Atoms | 33 |
| Complexity | 1582.4059 |
Chemical Identifiers
| CAS Number | 440322-55-4 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C(=O)C3=CC4=C(C=C3)C5=NC6=CC=CC=C6N5C(=S)N4 |
Product Overview
ChemDiv1_026735 (CAS 440322-55-4), with molecular formula C25H20FN5OS and molecular weight 457.14 g/mol. IUPAC: [4-(4-fluorophenyl)piperazin-1-yl]-(6-sulfanylidene-5H-benzimidazolo[1,2-c]quinazolin-3-yl)methanone.
Chemical Property Profile of ChemDiv1_026735
Property Insights of ChemDiv1_026735
The XLogP value of 4.79979 indicates that ChemDiv1_026735 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.64 Ų, ChemDiv1_026735 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_026735 has 1 hydrogen bond donor(s) and 4 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_026735?
The CAS number of ChemDiv1_026735 is 440322-55-4.
What is the molecular formula of ChemDiv1_026735?
The molecular formula of ChemDiv1_026735 is C25H20FN5OS.
What is the molecular weight of ChemDiv1_026735?
The molecular weight of ChemDiv1_026735 is 457.14 g/mol.
Where can I buy ChemDiv1_026735?
You can request a quote for ChemDiv1_026735 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_026735?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_026735 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.