ChemDiv1_013280
TL;DR: ChemDiv1_013280 (CAS 422283-40-7) is a chemical compound with molecular formula C28H25ClN4O3S and molecular weight 532.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: ChemDiv1_013280, F3168-1756, 7-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one, 7-(4-(4-acetylphenyl)piperazine-1-carbonyl)-3-(4-chlorobenzyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one, 7-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one
| Molecular Formula | C28H25ClN4O3S |
|---|---|
| Molecular Weight | 532.13 g/mol |
| LogP | 4.92579 |
| Topological Polar Surface Area | 78.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 532.1336 |
| Heavy Atoms | 37 |
| Complexity | 1602.2976 |
Chemical Identifiers
| CAS Number | 422283-40-7 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=C(C=C5)Cl |
Product Overview
ChemDiv1_013280 (CAS 422283-40-7), with molecular formula C28H25ClN4O3S and molecular weight 532.13 g/mol. IUPAC: 7-[4-(4-acetylphenyl)piperazine-1-carbonyl]-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of ChemDiv1_013280
Property Insights of ChemDiv1_013280
The XLogP value of 4.92579 indicates that ChemDiv1_013280 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.41 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_013280. Following Lipinski's Rule of Five, ChemDiv1_013280 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_013280?
The CAS number of ChemDiv1_013280 is 422283-40-7.
What is the molecular formula of ChemDiv1_013280?
The molecular formula of ChemDiv1_013280 is C28H25ClN4O3S.
What is the molecular weight of ChemDiv1_013280?
The molecular weight of ChemDiv1_013280 is 532.13 g/mol.
Where can I buy ChemDiv1_013280?
You can request a quote for ChemDiv1_013280 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013280?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013280 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.