ChemDiv1_013324
TL;DR: ChemDiv1_013324 (CAS 422283-41-8) is a chemical compound with molecular formula C24H21ClN6O2S and molecular weight 492.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methyl]-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: ChemDiv1_013324, 3-[(4-chlorophenyl)methyl]-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one, 3-(4-chlorobenzyl)-7-[(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl]-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 3-[(4-chlorophenyl)methyl]-7-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
| Molecular Formula | C24H21ClN6O2S |
|---|---|
| Molecular Weight | 492.11 g/mol |
| LogP | 3.51319 |
| Topological Polar Surface Area | 87.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 492.11353 |
| Heavy Atoms | 34 |
| Complexity | 1461.3213 |
Chemical Identifiers
| CAS Number | 422283-41-8 |
|---|---|
| SMILES | C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=C(C=C5)Cl |
Product Overview
ChemDiv1_013324 (CAS 422283-41-8), with molecular formula C24H21ClN6O2S and molecular weight 492.11 g/mol. IUPAC: 3-[(4-chlorophenyl)methyl]-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of ChemDiv1_013324
Property Insights of ChemDiv1_013324
The XLogP value of 3.51319 indicates that ChemDiv1_013324 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.12 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013324. Following Lipinski's Rule of Five, ChemDiv1_013324 has 1 hydrogen bond donor(s) and 6 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_013324?
The CAS number of ChemDiv1_013324 is 422283-41-8.
What is the molecular formula of ChemDiv1_013324?
The molecular formula of ChemDiv1_013324 is C24H21ClN6O2S.
What is the molecular weight of ChemDiv1_013324?
The molecular weight of ChemDiv1_013324 is 492.11 g/mol.
Where can I buy ChemDiv1_013324?
You can request a quote for ChemDiv1_013324 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013324?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013324 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.