ChemDiv1_013655
TL;DR: ChemDiv1_013655 (CAS 422288-01-5) is a chemical compound with molecular formula C22H23BrN4O2S and molecular weight 486.07 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-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: ChemDiv1_013655, VU0512573-1, F3168-1845, 6-bromo-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one, 6-bromo-3-(4-oxo-4-(4-phenylpiperazin-1-yl)butyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C22H23BrN4O2S |
|---|---|
| Molecular Weight | 486.07 g/mol |
| LogP | 3.95059 |
| Topological Polar Surface Area | 61.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.0725 |
| Heavy Atoms | 30 |
| Complexity | 1167.2113 |
Chemical Identifiers
| CAS Number | 422288-01-5 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)CCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S |
Product Overview
ChemDiv1_013655 (CAS 422288-01-5), with molecular formula C22H23BrN4O2S and molecular weight 486.07 g/mol. IUPAC: 6-bromo-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of ChemDiv1_013655
Property Insights of ChemDiv1_013655
The XLogP value of 3.95059 indicates that ChemDiv1_013655 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.34 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013655. Following Lipinski's Rule of Five, ChemDiv1_013655 has 1 hydrogen bond donor(s) and 4 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_013655?
The CAS number of ChemDiv1_013655 is 422288-01-5.
What is the molecular formula of ChemDiv1_013655?
The molecular formula of ChemDiv1_013655 is C22H23BrN4O2S.
What is the molecular weight of ChemDiv1_013655?
The molecular weight of ChemDiv1_013655 is 486.07 g/mol.
Where can I buy ChemDiv1_013655?
You can request a quote for ChemDiv1_013655 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013655?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013655 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.