ChemDiv1_013851
TL;DR: ChemDiv1_013851 (CAS 451467-53-1) is a chemical compound with molecular formula C28H24F2N4O3S and molecular weight 534.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide
Also Known As: ChemDiv1_013851, F0916-6467, 1-(2-((3-fluorobenzyl)thio)-3-(4-fluorophenyl)-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide, 1-[3-(4-fluorophenyl)-2-{[(3-fluorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carbonyl]piperidine-4-carboxamide, 1-[3-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide
| Molecular Formula | C28H24F2N4O3S |
|---|---|
| Molecular Weight | 534.15 g/mol |
| LogP | 4.2937 |
| Topological Polar Surface Area | 98.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 534.15375 |
| Heavy Atoms | 38 |
| Complexity | 1581.8317 |
Chemical Identifiers
| CAS Number | 451467-53-1 |
|---|---|
| SMILES | C1CN(CCC1C(=O)N)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC(=CC=C4)F)C5=CC=C(C=C5)F |
Product Overview
ChemDiv1_013851 (CAS 451467-53-1), with molecular formula C28H24F2N4O3S and molecular weight 534.15 g/mol. IUPAC: 1-[3-(4-fluorophenyl)-2-[(3-fluorophenyl)methylsulfanyl]-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide.
Chemical Property Profile of ChemDiv1_013851
Property Insights of ChemDiv1_013851
The XLogP value of 4.2937 indicates that ChemDiv1_013851 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013851. Following Lipinski's Rule of Five, ChemDiv1_013851 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_013851?
The CAS number of ChemDiv1_013851 is 451467-53-1.
What is the molecular formula of ChemDiv1_013851?
The molecular formula of ChemDiv1_013851 is C28H24F2N4O3S.
What is the molecular weight of ChemDiv1_013851?
The molecular weight of ChemDiv1_013851 is 534.15 g/mol.
Where can I buy ChemDiv1_013851?
You can request a quote for ChemDiv1_013851 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013851?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013851 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.