ChemDiv1_013525
TL;DR: ChemDiv1_013525 (CAS 422288-05-9) is a chemical compound with molecular formula C21H22BrN5O2S and molecular weight 487.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: ChemDiv1_013525, 6-bromo-3-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-2-sulfanylidene-1H-quinazolin-4-one, 6-bromo-3-[4-oxo-4-[4-(2-pyridinyl)-1-piperazinyl]butyl]-2-sulfanylidene-1H-quinazolin-4-one, 6-bromo-3-(4-oxo-4-(4-(pyridin-2-yl)piperazin-1-yl)butyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 6-bromo-3-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C21H22BrN5O2S |
|---|---|
| Molecular Weight | 487.07 g/mol |
| LogP | 3.34559 |
| Topological Polar Surface Area | 74.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 487.06775 |
| Heavy Atoms | 30 |
| Complexity | 1169.4706 |
Chemical Identifiers
| CAS Number | 422288-05-9 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=N2)C(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S |
Product Overview
ChemDiv1_013525 (CAS 422288-05-9), with molecular formula C21H22BrN5O2S and molecular weight 487.07 g/mol. IUPAC: 6-bromo-3-[4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of ChemDiv1_013525
Property Insights of ChemDiv1_013525
The XLogP value of 3.34559 indicates that ChemDiv1_013525 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_013525. Following Lipinski's Rule of Five, ChemDiv1_013525 has 1 hydrogen bond donor(s) and 5 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 ChemDiv1_013525?
The CAS number of ChemDiv1_013525 is 422288-05-9.
What is the molecular formula of ChemDiv1_013525?
The molecular formula of ChemDiv1_013525 is C21H22BrN5O2S.
What is the molecular weight of ChemDiv1_013525?
The molecular weight of ChemDiv1_013525 is 487.07 g/mol.
Where can I buy ChemDiv1_013525?
You can request a quote for ChemDiv1_013525 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013525?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013525 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.