![3,3-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one structure](/static/products/3766/376613-73-9.webp)
3,3-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one
TL;DR: 3,3-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one (CAS 376613-73-9) is a chemical compound with molecular formula C17H17N3O3 and molecular weight 311.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one
Also Known As: BAS 01403765, BIM-0036448.P001, 3,3-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one, 3,3-dimethyl-1-(4-nitrobenzyl)-3,4-dihydroquinoxalin-2(1H)-one, 3,3-Dimethyl-1-(4-nitro-benzyl)-3,4-dihydro-1H-quinoxalin-2-one
| Molecular Formula | C17H17N3O3 |
|---|---|
| Molecular Weight | 311.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.12698 |
| Heavy Atoms | 23 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 376613-73-9 |
|---|---|
| SMILES | CC1(C(=O)N(C2=CC=CC=C2N1)CC3=CC=C(C=C3)[N+](=O)[O-])C |
| InChIKey | RVZPHRADTLXPLS-UHFFFAOYSA-N |
Product Overview
3,3-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one (CAS 376613-73-9), with molecular formula C17H17N3O3 and molecular weight 311.13 g/mol. IUPAC: 3,3-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one.
Chemical Property Profile of 3,3-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one
Property Insights of 3,3-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one
The XLogP value of 3.0 indicates that 3,3-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one. Following Lipinski's Rule of Five, 3,3-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one has 1 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-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one?
The CAS number of 3,3-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one is 376613-73-9.
What is the molecular formula of 3,3-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one?
The molecular formula of 3,3-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one is C17H17N3O3.
What is the molecular weight of 3,3-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one?
The molecular weight of 3,3-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one is 311.13 g/mol.
Where can I buy 3,3-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one?
You can request a quote for 3,3-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-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-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,3-dimethyl-1-[(4-nitrophenyl)methyl]-4H-quinoxalin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.