F3168-1776
TL;DR: F3168-1776 (CAS 422287-01-2) is a chemical compound with molecular formula C21H22BrN3O2S and molecular weight 459.06 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-methylbutyl)benzamide
Also Known As: F3168-1776, 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(3-methylbutyl)benzamide, 4-[(6-bromo-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]-N-(3-methylbutyl)benzamide, 4-((6-bromo-4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)-N-isopentylbenzamide
| Molecular Formula | C21H22BrN3O2S |
|---|---|
| Molecular Weight | 459.06 g/mol |
| LogP | 4.64579 |
| Topological Polar Surface Area | 66.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.0616 |
| Heavy Atoms | 28 |
| Complexity | 1117.1842 |
Chemical Identifiers
| CAS Number | 422287-01-2 |
|---|---|
| SMILES | CC(C)CCNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)Br)NC2=S |
Product Overview
F3168-1776 (CAS 422287-01-2), with molecular formula C21H22BrN3O2S and molecular weight 459.06 g/mol. IUPAC: 4-[(6-bromo-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]-N-(3-methylbutyl)benzamide.
Chemical Property Profile of F3168-1776
Property Insights of F3168-1776
The XLogP value of 4.64579 indicates that F3168-1776 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.89 Ų falls within the moderate polarity range, balancing permeability and solubility for F3168-1776. Following Lipinski's Rule of Five, F3168-1776 has 2 hydrogen bond donor(s) and 3 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 F3168-1776?
The CAS number of F3168-1776 is 422287-01-2.
What is the molecular formula of F3168-1776?
The molecular formula of F3168-1776 is C21H22BrN3O2S.
What is the molecular weight of F3168-1776?
The molecular weight of F3168-1776 is 459.06 g/mol.
Where can I buy F3168-1776?
You can request a quote for F3168-1776 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F3168-1776?
Yes, KEHONG BIO provides custom synthesis services for F3168-1776 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.