F0916-5053
TL;DR: F0916-5053 (CAS 451464-83-8) is a chemical compound with molecular formula C28H24ClF3N4O3S and molecular weight 588.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-chlorophenyl)methyl]-4-[4-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylquinazolin-3-yl]butanamide
Also Known As: F0916-5053, N-[(3-chlorophenyl)methyl]-4-{4-oxo-2-[({[3-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-3,4-dihydroquinazolin-3-yl}butanamide, N-(3-chlorobenzyl)-4-(4-oxo-2-((2-oxo-2-((3-(trifluoromethyl)phenyl)amino)ethyl)thio)quinazolin-3(4H)-yl)butanamide, N-[(3-chlorophenyl)methyl]-4-[4-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylquinazolin-3-yl]butanamide
| Molecular Formula | C28H24ClF3N4O3S |
|---|---|
| Molecular Weight | 588.12 g/mol |
| LogP | 5.8961 |
| Topological Polar Surface Area | 93.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 588.121 |
| Heavy Atoms | 40 |
| Complexity | 1593.3619 |
Chemical Identifiers
| CAS Number | 451464-83-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)CCCC(=O)NCC4=CC(=CC=C4)Cl |
Product Overview
F0916-5053 (CAS 451464-83-8), with molecular formula C28H24ClF3N4O3S and molecular weight 588.12 g/mol. IUPAC: N-[(3-chlorophenyl)methyl]-4-[4-oxo-2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylquinazolin-3-yl]butanamide.
Chemical Property Profile of F0916-5053
Property Insights of F0916-5053
The XLogP value of 5.8961 indicates that F0916-5053 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.09 Ų falls within the moderate polarity range, balancing permeability and solubility for F0916-5053. Following Lipinski's Rule of Five, F0916-5053 has 2 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 F0916-5053?
The CAS number of F0916-5053 is 451464-83-8.
What is the molecular formula of F0916-5053?
The molecular formula of F0916-5053 is C28H24ClF3N4O3S.
What is the molecular weight of F0916-5053?
The molecular weight of F0916-5053 is 588.12 g/mol.
Where can I buy F0916-5053?
You can request a quote for F0916-5053 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0916-5053?
Yes, KEHONG BIO provides custom synthesis services for F0916-5053 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.