2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one
TL;DR: 2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one (CAS 1024135-46-3) is a chemical compound with molecular formula C15H11N3O5 and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one
Also Known As: 2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one, 2-(6-nitrobenzo[d]1,3-dioxolen-5-yl)-1,2,3-trihydroquinazolin-4-one, 2-(6-nitro-2H-1,3-benzodioxol-5-yl)-1,2,3,4-tetrahydroquinazolin-4-one, 2-(6-nitrobenzo[1,3]dioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one, 2-(6-Nitrobenzo[d][1,3]dioxol-5-yl)-2,3-dihydroquinazolin-4(1H)-one
| Molecular Formula | C15H11N3O5 |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 2.1776 |
| Topological Polar Surface Area | 102.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.0699 |
| Heavy Atoms | 23 |
| Complexity | 835.85724 |
Chemical Identifiers
| CAS Number | 1024135-46-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C3NC4=CC=CC=C4C(=O)N3)[N+](=O)[O-] |
Product Overview
2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one (CAS 1024135-46-3), with molecular formula C15H11N3O5 and molecular weight 313.07 g/mol. IUPAC: 2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one.
Chemical Property Profile of 2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one
Property Insights of 2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one
The XLogP value of 2.1776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one. The TPSA of 102.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one. Following Lipinski's Rule of Five, 2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one has 2 hydrogen bond donor(s) and 6 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 2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one?
The CAS number of 2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one is 1024135-46-3.
What is the molecular formula of 2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one?
The molecular formula of 2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one is C15H11N3O5.
What is the molecular weight of 2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one?
The molecular weight of 2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one is 313.07 g/mol.
Where can I buy 2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one?
You can request a quote for 2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-nitro-1,3-benzodioxol-5-yl)-2,3-dihydro-1H-quinazolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.