ChemDiv1_013703
TL;DR: ChemDiv1_013703 (CAS 422288-48-0) is a chemical compound with molecular formula C23H26BrN5O2S and molecular weight 515.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-[6-oxo-6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: ChemDiv1_013703, F0920-6669, 6-bromo-3-[6-oxo-6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one, 6-bromo-3-{6-oxo-6-[4-(pyridin-2-yl)piperazin-1-yl]hexyl}-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one, 6-bromo-3-[6-oxo-6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C23H26BrN5O2S |
|---|---|
| Molecular Weight | 515.10 g/mol |
| LogP | 4.12579 |
| Topological Polar Surface Area | 74.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 515.09906 |
| Heavy Atoms | 32 |
| Complexity | 1202.4725 |
Chemical Identifiers
| CAS Number | 422288-48-0 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=N2)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)Br)NC3=S |
Product Overview
ChemDiv1_013703 (CAS 422288-48-0), with molecular formula C23H26BrN5O2S and molecular weight 515.10 g/mol. IUPAC: 6-bromo-3-[6-oxo-6-(4-pyridin-2-ylpiperazin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of ChemDiv1_013703
Property Insights of ChemDiv1_013703
The XLogP value of 4.12579 indicates that ChemDiv1_013703 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_013703. Following Lipinski's Rule of Five, ChemDiv1_013703 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_013703?
The CAS number of ChemDiv1_013703 is 422288-48-0.
What is the molecular formula of ChemDiv1_013703?
The molecular formula of ChemDiv1_013703 is C23H26BrN5O2S.
What is the molecular weight of ChemDiv1_013703?
The molecular weight of ChemDiv1_013703 is 515.10 g/mol.
Where can I buy ChemDiv1_013703?
You can request a quote for ChemDiv1_013703 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013703?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013703 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.