ChemDiv1_013389
TL;DR: ChemDiv1_013389 (CAS 422287-53-4) is a chemical compound with molecular formula C25H22BrN5O2S and molecular weight 535.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: ChemDiv1_013389, F3168-1817, 6-bromo-3-({4-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one, 6-bromo-3-(4-(4-(pyridin-2-yl)piperazine-1-carbonyl)benzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 6-bromo-3-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one
| Molecular Formula | C25H22BrN5O2S |
|---|---|
| Molecular Weight | 535.07 g/mol |
| LogP | 4.22729 |
| Topological Polar Surface Area | 74.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 535.06775 |
| Heavy Atoms | 34 |
| Complexity | 1459.1642 |
Chemical Identifiers
| CAS Number | 422287-53-4 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC=C(C=C3)CN4C(=O)C5=C(C=CC(=C5)Br)NC4=S |
Product Overview
ChemDiv1_013389 (CAS 422287-53-4), with molecular formula C25H22BrN5O2S and molecular weight 535.07 g/mol. IUPAC: 6-bromo-3-[[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of ChemDiv1_013389
Property Insights of ChemDiv1_013389
The XLogP value of 4.22729 indicates that ChemDiv1_013389 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013389. Following Lipinski's Rule of Five, ChemDiv1_013389 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_013389?
The CAS number of ChemDiv1_013389 is 422287-53-4.
What is the molecular formula of ChemDiv1_013389?
The molecular formula of ChemDiv1_013389 is C25H22BrN5O2S.
What is the molecular weight of ChemDiv1_013389?
The molecular weight of ChemDiv1_013389 is 535.07 g/mol.
Where can I buy ChemDiv1_013389?
You can request a quote for ChemDiv1_013389 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013389?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013389 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.