F3168-1789
TL;DR: F3168-1789 (CAS 422287-22-7) is a chemical compound with molecular formula C27H27BrN4O2S and molecular weight 550.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[3-(N-ethylanilino)propyl]benzamide
Also Known As: F3168-1789, 4-((6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-(3-(ethyl(phenyl)amino)propyl)benzamide, 4-[(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-{3-[ethyl(phenyl)amino]propyl}benzamide, 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[3-(N-ethylanilino)propyl]benzamide
| Molecular Formula | C27H27BrN4O2S |
|---|---|
| Molecular Weight | 550.10 g/mol |
| LogP | 5.51629 |
| Topological Polar Surface Area | 70.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 550.1038 |
| Heavy Atoms | 35 |
| Complexity | 1432.0328 |
Chemical Identifiers
| CAS Number | 422287-22-7 |
|---|---|
| SMILES | CCN(CCCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)NC2=S)C4=CC=CC=C4 |
Product Overview
F3168-1789 (CAS 422287-22-7), with molecular formula C27H27BrN4O2S and molecular weight 550.10 g/mol. IUPAC: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-[3-(N-ethylanilino)propyl]benzamide.
Chemical Property Profile of F3168-1789
Property Insights of F3168-1789
The XLogP value of 5.51629 indicates that F3168-1789 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.13 Ų falls within the moderate polarity range, balancing permeability and solubility for F3168-1789. Following Lipinski's Rule of Five, F3168-1789 has 2 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 F3168-1789?
The CAS number of F3168-1789 is 422287-22-7.
What is the molecular formula of F3168-1789?
The molecular formula of F3168-1789 is C27H27BrN4O2S.
What is the molecular weight of F3168-1789?
The molecular weight of F3168-1789 is 550.10 g/mol.
Where can I buy F3168-1789?
You can request a quote for F3168-1789 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3168-1789?
Yes, KEHONG BIO provides custom synthesis services for F3168-1789 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.