1,2-Dihydro-2-(5-nitro-2-thienyl)quinazolin-4(3H)-one
TL;DR: 1,2-Dihydro-2-(5-nitro-2-thienyl)quinazolin-4(3H)-one (CAS 33389-33-2) is a chemical compound with molecular formula C12H9N3O3S and molecular weight 275.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-nitrothiophen-2-yl)-2,3-dihydro-1H-quinazolin-4-one
Also Known As: Maybridge1_000634, CCRIS974, 1,2-Dihydro-2-(5-nitro-2-thienyl)quinazolin-4(3H)-one, 2-(5-Nitrothiophen-2-yl)-2,3-dihydroquinazolin-4(1H)-one, 2,3-Dihydro-2-(5-nitro-2-thienyl)-4-quinazoline
| Molecular Formula | C12H9N3O3S |
|---|---|
| Molecular Weight | 275.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 275.03647 |
| Heavy Atoms | 19 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 33389-33-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)NC(N2)C3=CC=C(S3)[N+](=O)[O-] |
| InChIKey | UBXSITBCVLNRNX-UHFFFAOYSA-N |
Product Overview
1,2-Dihydro-2-(5-nitro-2-thienyl)quinazolin-4(3H)-one (CAS 33389-33-2), with molecular formula C12H9N3O3S and molecular weight 275.04 g/mol. IUPAC: 2-(5-nitrothiophen-2-yl)-2,3-dihydro-1H-quinazolin-4-one.
Chemical Property Profile of 1,2-Dihydro-2-(5-nitro-2-thienyl)quinazolin-4(3H)-one
Property Insights of 1,2-Dihydro-2-(5-nitro-2-thienyl)quinazolin-4(3H)-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dihydro-2-(5-nitro-2-thienyl)quinazolin-4(3H)-one. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Dihydro-2-(5-nitro-2-thienyl)quinazolin-4(3H)-one. Following Lipinski's Rule of Five, 1,2-Dihydro-2-(5-nitro-2-thienyl)quinazolin-4(3H)-one has 2 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 1,2-Dihydro-2-(5-nitro-2-thienyl)quinazolin-4(3H)-one?
The CAS number of 1,2-Dihydro-2-(5-nitro-2-thienyl)quinazolin-4(3H)-one is 33389-33-2.
What is the molecular formula of 1,2-Dihydro-2-(5-nitro-2-thienyl)quinazolin-4(3H)-one?
The molecular formula of 1,2-Dihydro-2-(5-nitro-2-thienyl)quinazolin-4(3H)-one is C12H9N3O3S.
What is the molecular weight of 1,2-Dihydro-2-(5-nitro-2-thienyl)quinazolin-4(3H)-one?
The molecular weight of 1,2-Dihydro-2-(5-nitro-2-thienyl)quinazolin-4(3H)-one is 275.04 g/mol.
Where can I buy 1,2-Dihydro-2-(5-nitro-2-thienyl)quinazolin-4(3H)-one?
You can request a quote for 1,2-Dihydro-2-(5-nitro-2-thienyl)quinazolin-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 1,2-Dihydro-2-(5-nitro-2-thienyl)quinazolin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dihydro-2-(5-nitro-2-thienyl)quinazolin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.