RefChem:284065
TL;DR: RefChem:284065 (CAS 68638-33-5) is a chemical compound with molecular formula C19H21Cl3N4O and molecular weight 426.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]quinazolin-4-one;dihydrochloride
Also Known As: 4(3H)-Quinazolinone, 3-(4-(o-chlorophenyl)-1-piperazinylmethyl)-, dihydrochloride, 3-(4-(o-Chlorophenyl)-1-piperazinylmethyl)-4(3H)-quinazolinone dihydrochloride, 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]quinazolin-4-onedihydrochloride, 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]quinazolin-4-one dihydrochloride, 3-{[4-(2-Chlorophenyl)piperazin-1-yl]methyl}quinazolin-4(3H)-one--hydrogen chloride (1/2)
| Molecular Formula | C19H21Cl3N4O |
|---|---|
| Molecular Weight | 426.08 g/mol |
| LogP | 3.67 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 426.0781 |
| Heavy Atoms | 27 |
| Complexity | 506.0 |
Chemical Identifiers
| CAS Number | 68638-33-5 |
|---|---|
| SMILES | C1CN(CCN1CN2C=NC3=CC=CC=C3C2=O)C4=CC=CC=C4Cl.Cl.Cl |
| InChIKey | XEAIZGQGNWIUAW-UHFFFAOYSA-N |
Product Overview
RefChem:284065 (CAS 68638-33-5), with molecular formula C19H21Cl3N4O and molecular weight 426.08 g/mol. IUPAC: 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]quinazolin-4-one;dihydrochloride.
Chemical Property Profile of RefChem:284065
Property Insights of RefChem:284065
The XLogP value of 3.67 indicates that RefChem:284065 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, RefChem:284065 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:284065 has 2 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 RefChem:284065?
The CAS number of RefChem:284065 is 68638-33-5.
What is the molecular formula of RefChem:284065?
The molecular formula of RefChem:284065 is C19H21Cl3N4O.
What is the molecular weight of RefChem:284065?
The molecular weight of RefChem:284065 is 426.08 g/mol.
Where can I buy RefChem:284065?
You can request a quote for RefChem:284065 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:284065?
Yes, KEHONG BIO provides custom synthesis services for RefChem:284065 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.