ChemDiv1_013236
TL;DR: ChemDiv1_013236 (CAS 422283-39-4) is a chemical compound with molecular formula C26H29ClN4O2S and molecular weight 496.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methyl]-7-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: ChemDiv1_013236, VU0512550-1, F3168-1755, 3-[(4-chlorophenyl)methyl]-7-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one, 7-{[1,4'-bipiperidine]-1'-carbonyl}-3-[(4-chlorophenyl)methyl]-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
| Molecular Formula | C26H29ClN4O2S |
|---|---|
| Molecular Weight | 496.17 g/mol |
| LogP | 4.85129 |
| Topological Polar Surface Area | 61.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.16998 |
| Heavy Atoms | 34 |
| Complexity | 1303.1106 |
Chemical Identifiers
| CAS Number | 422283-39-4 |
|---|---|
| SMILES | C1CCN(CC1)C2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC=C(C=C5)Cl |
Product Overview
ChemDiv1_013236 (CAS 422283-39-4), with molecular formula C26H29ClN4O2S and molecular weight 496.17 g/mol. IUPAC: 3-[(4-chlorophenyl)methyl]-7-(4-piperidin-1-ylpiperidine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of ChemDiv1_013236
Property Insights of ChemDiv1_013236
The XLogP value of 4.85129 indicates that ChemDiv1_013236 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_013236. Following Lipinski's Rule of Five, ChemDiv1_013236 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_013236?
The CAS number of ChemDiv1_013236 is 422283-39-4.
What is the molecular formula of ChemDiv1_013236?
The molecular formula of ChemDiv1_013236 is C26H29ClN4O2S.
What is the molecular weight of ChemDiv1_013236?
The molecular weight of ChemDiv1_013236 is 496.17 g/mol.
Where can I buy ChemDiv1_013236?
You can request a quote for ChemDiv1_013236 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_013236?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_013236 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.