RefChem:378429
TL;DR: RefChem:378429 (CAS 78960-31-3) is a chemical compound with molecular formula C17H16Cl2N2O5 and molecular weight 398.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1-ethyl-2-methylquinazolin-1-ium-4-one perchlorate
Also Known As: Quinazolinium, 3,4-dihydro-3-(p-chlorophenyl)-1-ethyl-2-methyl-4-oxo-, perchlorate, 3,4-Dihydro-3-(p-chlorophenyl)-1-ethyl-2-methyl-4-oxo-quinazolinium perchlorate, 3-(4-chlorophenyl)-1-ethyl-2-methylquinazolin-1-ium-4-one perchlorate, 3-(4-Chlorophenyl)-1-ethyl-2-methyl-4-oxo-3,4-dihydroquinazolin-1-ium perchlorate, RefChem:378429
| Molecular Formula | C17H16Cl2N2O5 |
|---|---|
| Molecular Weight | 398.04 g/mol |
| LogP | -1.49608 |
| Topological Polar Surface Area | 118.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 398.04364 |
| Heavy Atoms | 26 |
| Complexity | 959.77966 |
Chemical Identifiers
| CAS Number | 78960-31-3 |
|---|---|
| SMILES | CC[N+]1=C(N(C(=O)C2=CC=CC=C21)C3=CC=C(C=C3)Cl)C.[O-]Cl(=O)(=O)=O |
Product Overview
RefChem:378429 (CAS 78960-31-3), with molecular formula C17H16Cl2N2O5 and molecular weight 398.04 g/mol. IUPAC: 3-(4-chlorophenyl)-1-ethyl-2-methylquinazolin-1-ium-4-one perchlorate.
Chemical Property Profile of RefChem:378429
Property Insights of RefChem:378429
The XLogP value of -1.49608 indicates that RefChem:378429 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.12 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:378429. Following Lipinski's Rule of Five, RefChem:378429 has 0 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 RefChem:378429?
The CAS number of RefChem:378429 is 78960-31-3.
What is the molecular formula of RefChem:378429?
The molecular formula of RefChem:378429 is C17H16Cl2N2O5.
What is the molecular weight of RefChem:378429?
The molecular weight of RefChem:378429 is 398.04 g/mol.
Where can I buy RefChem:378429?
You can request a quote for RefChem:378429 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:378429?
Yes, KEHONG BIO provides custom synthesis services for RefChem:378429 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.