3-isobutyl-6-nitroquinazolin-4(3H)-one
TL;DR: 3-isobutyl-6-nitroquinazolin-4(3H)-one (CAS 900513-10-2) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylpropyl)-6-nitroquinazolin-4-one
Also Known As: 3-isobutyl-6-nitroquinazolin-4(3H)-one, 3-(2-methylpropyl)-6-nitroquinazolin-4-one
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 1.9607 |
| Topological Polar Surface Area | 78.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.09569 |
| Heavy Atoms | 18 |
| Complexity | 661.1555 |
Chemical Identifiers
| CAS Number | 900513-10-2 |
|---|---|
| SMILES | CC(C)CN1C=NC2=C(C1=O)C=C(C=C2)[N+](=O)[O-] |
Product Overview
3-isobutyl-6-nitroquinazolin-4(3H)-one (CAS 900513-10-2), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: 3-(2-methylpropyl)-6-nitroquinazolin-4-one.
Chemical Property Profile of 3-isobutyl-6-nitroquinazolin-4(3H)-one
Property Insights of 3-isobutyl-6-nitroquinazolin-4(3H)-one
The XLogP value of 1.9607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-isobutyl-6-nitroquinazolin-4(3H)-one. The TPSA of 78.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-isobutyl-6-nitroquinazolin-4(3H)-one. Following Lipinski's Rule of Five, 3-isobutyl-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-isobutyl-6-nitroquinazolin-4(3H)-one?
The CAS number of 3-isobutyl-6-nitroquinazolin-4(3H)-one is 900513-10-2.
What is the molecular formula of 3-isobutyl-6-nitroquinazolin-4(3H)-one?
The molecular formula of 3-isobutyl-6-nitroquinazolin-4(3H)-one is C12H13N3O3.
What is the molecular weight of 3-isobutyl-6-nitroquinazolin-4(3H)-one?
The molecular weight of 3-isobutyl-6-nitroquinazolin-4(3H)-one is 247.10 g/mol.
Where can I buy 3-isobutyl-6-nitroquinazolin-4(3H)-one?
You can request a quote for 3-isobutyl-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-isobutyl-6-nitroquinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-isobutyl-6-nitroquinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.