3-(3,4-dichlorobenzyl)-6-nitroquinazolin-4(3H)-one
TL;DR: 3-(3,4-dichlorobenzyl)-6-nitroquinazolin-4(3H)-one (CAS 879440-59-2) is a chemical compound with molecular formula C15H9Cl2N3O3 and molecular weight 349.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dichlorophenyl)methyl]-6-nitroquinazolin-4-one
Also Known As: 3-(3,4-dichlorobenzyl)-6-nitroquinazolin-4(3H)-one, 3-[(3,4-dichlorophenyl)methyl]-6-nitroquinazolin-4-one, 6-nitro-3-(3,4-dichlorobenzyl)quinazolin-4(3h)-one, 3-(3,4-dichlorobenzyl)-6-nitroquinazolin-4-(3h)-one, 3-[(3,4-Dichlorophenyl)methyl]-6-nitroquinazolin-4(3H)-one
| Molecular Formula | C15H9Cl2N3O3 |
|---|---|
| Molecular Weight | 349.00 g/mol |
| LogP | 3.6598 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.0021 |
| Heavy Atoms | 23 |
| Complexity | 985.35333 |
Chemical Identifiers
| CAS Number | 879440-59-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1CN2C=NC3=C(C2=O)C=C(C=C3)[N+](=O)[O-])Cl)Cl |
Product Overview
3-(3,4-dichlorobenzyl)-6-nitroquinazolin-4(3H)-one (CAS 879440-59-2), with molecular formula C15H9Cl2N3O3 and molecular weight 349.00 g/mol. IUPAC: 3-[(3,4-dichlorophenyl)methyl]-6-nitroquinazolin-4-one.
Chemical Property Profile of 3-(3,4-dichlorobenzyl)-6-nitroquinazolin-4(3H)-one
Property Insights of 3-(3,4-dichlorobenzyl)-6-nitroquinazolin-4(3H)-one
The XLogP value of 3.6598 indicates that 3-(3,4-dichlorobenzyl)-6-nitroquinazolin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,4-dichlorobenzyl)-6-nitroquinazolin-4(3H)-one. Following Lipinski's Rule of Five, 3-(3,4-dichlorobenzyl)-6-nitroquinazolin-4(3H)-one has 0 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 3-(3,4-dichlorobenzyl)-6-nitroquinazolin-4(3H)-one?
The CAS number of 3-(3,4-dichlorobenzyl)-6-nitroquinazolin-4(3H)-one is 879440-59-2.
What is the molecular formula of 3-(3,4-dichlorobenzyl)-6-nitroquinazolin-4(3H)-one?
The molecular formula of 3-(3,4-dichlorobenzyl)-6-nitroquinazolin-4(3H)-one is C15H9Cl2N3O3.
What is the molecular weight of 3-(3,4-dichlorobenzyl)-6-nitroquinazolin-4(3H)-one?
The molecular weight of 3-(3,4-dichlorobenzyl)-6-nitroquinazolin-4(3H)-one is 349.00 g/mol.
Where can I buy 3-(3,4-dichlorobenzyl)-6-nitroquinazolin-4(3H)-one?
You can request a quote for 3-(3,4-dichlorobenzyl)-6-nitroquinazolin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-dichlorobenzyl)-6-nitroquinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-dichlorobenzyl)-6-nitroquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.