ChemDiv1_014010
TL;DR: ChemDiv1_014010 (CAS 451467-07-5) is a chemical compound with molecular formula C25H22ClN5O2S and molecular weight 491.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methyl]-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: ChemDiv1_014010, AB00162586-02, F0916-6385, 3-(4-chlorobenzyl)-7-(4-(pyridin-2-yl)piperazine-1-carbonyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 3-[(4-chlorophenyl)methyl]-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one
| Molecular Formula | C25H22ClN5O2S |
|---|---|
| Molecular Weight | 491.12 g/mol |
| LogP | 4.11819 |
| Topological Polar Surface Area | 74.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 491.1183 |
| Heavy Atoms | 34 |
| Complexity | 1459.1642 |
Chemical Identifiers
| CAS Number | 451467-07-5 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC=N2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=C(C=C5)Cl |
Product Overview
ChemDiv1_014010 (CAS 451467-07-5), with molecular formula C25H22ClN5O2S and molecular weight 491.12 g/mol. IUPAC: 3-[(4-chlorophenyl)methyl]-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of ChemDiv1_014010
Property Insights of ChemDiv1_014010
The XLogP value of 4.11819 indicates that ChemDiv1_014010 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_014010. Following Lipinski's Rule of Five, ChemDiv1_014010 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_014010?
The CAS number of ChemDiv1_014010 is 451467-07-5.
What is the molecular formula of ChemDiv1_014010?
The molecular formula of ChemDiv1_014010 is C25H22ClN5O2S.
What is the molecular weight of ChemDiv1_014010?
The molecular weight of ChemDiv1_014010 is 491.12 g/mol.
Where can I buy ChemDiv1_014010?
You can request a quote for ChemDiv1_014010 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014010?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014010 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.