4-Quinazolinol, 1,2-dihydro-2-(5-nitrofuryl)-, 3-oxide
TL;DR: 4-Quinazolinol, 1,2-dihydro-2-(5-nitrofuryl)-, 3-oxide (CAS 98754-77-9) is a chemical compound with molecular formula C12H9N3O5 and molecular weight 275.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-(5-nitrofuran-2-yl)-1,2-dihydroquinazolin-4-one
Also Known As: NIOSH/VA3138500, A 33588, 4-Quinazolinol, 1,2-dihydro-2-(5-nitrofuryl)-, 3-oxide, 3-Hydroxy-2-(5-nitrofuran-2-yl)-2,3-dihydroquinazolin-4(1H)-one, 1,2-Dihydro-2-(5-nitro-2-furyl)-3-hydroxyquinazolin-4-one
| Molecular Formula | C12H9N3O5 |
|---|---|
| Molecular Weight | 275.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.05423 |
| Heavy Atoms | 20 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 98754-77-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C(N2)C3=CC=C(O3)[N+](=O)[O-])O |
| InChIKey | RWBZRODEPHPWKY-UHFFFAOYSA-N |
Product Overview
4-Quinazolinol, 1,2-dihydro-2-(5-nitrofuryl)-, 3-oxide (CAS 98754-77-9), with molecular formula C12H9N3O5 and molecular weight 275.05 g/mol. IUPAC: 3-hydroxy-2-(5-nitrofuran-2-yl)-1,2-dihydroquinazolin-4-one.
Chemical Property Profile of 4-Quinazolinol, 1,2-dihydro-2-(5-nitrofuryl)-, 3-oxide
Property Insights of 4-Quinazolinol, 1,2-dihydro-2-(5-nitrofuryl)-, 3-oxide
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Quinazolinol, 1,2-dihydro-2-(5-nitrofuryl)-, 3-oxide. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Quinazolinol, 1,2-dihydro-2-(5-nitrofuryl)-, 3-oxide. Following Lipinski's Rule of Five, 4-Quinazolinol, 1,2-dihydro-2-(5-nitrofuryl)-, 3-oxide 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 4-Quinazolinol, 1,2-dihydro-2-(5-nitrofuryl)-, 3-oxide?
The CAS number of 4-Quinazolinol, 1,2-dihydro-2-(5-nitrofuryl)-, 3-oxide is 98754-77-9.
What is the molecular formula of 4-Quinazolinol, 1,2-dihydro-2-(5-nitrofuryl)-, 3-oxide?
The molecular formula of 4-Quinazolinol, 1,2-dihydro-2-(5-nitrofuryl)-, 3-oxide is C12H9N3O5.
What is the molecular weight of 4-Quinazolinol, 1,2-dihydro-2-(5-nitrofuryl)-, 3-oxide?
The molecular weight of 4-Quinazolinol, 1,2-dihydro-2-(5-nitrofuryl)-, 3-oxide is 275.05 g/mol.
Where can I buy 4-Quinazolinol, 1,2-dihydro-2-(5-nitrofuryl)-, 3-oxide?
You can request a quote for 4-Quinazolinol, 1,2-dihydro-2-(5-nitrofuryl)-, 3-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Quinazolinol, 1,2-dihydro-2-(5-nitrofuryl)-, 3-oxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Quinazolinol, 1,2-dihydro-2-(5-nitrofuryl)-, 3-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.