![4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one structure](/static/products/5696/56969-63-2.webp)
4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one
TL;DR: 4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one (CAS 56969-63-2) is a chemical compound with molecular formula C19H17NO3 and molecular weight 307.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one
Also Known As: (2E)-4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthal, 4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one, 1(2H)-Naphthalenone,3,4-dihydro-4,4-dimethyl-2-[(2-nitrophenyl)methylene]-
| Molecular Formula | C19H17NO3 |
|---|---|
| Molecular Weight | 307.12 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 307.12085 |
| Heavy Atoms | 23 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 56969-63-2 |
|---|---|
| SMILES | CC1(CC(=CC2=CC=CC=C2[N+](=O)[O-])C(=O)C3=CC=CC=C31)C |
| InChIKey | XOBGQJRAECNMNP-UHFFFAOYSA-N |
Product Overview
4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one (CAS 56969-63-2), with molecular formula C19H17NO3 and molecular weight 307.12 g/mol. IUPAC: 4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one.
Chemical Property Profile of 4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one
Property Insights of 4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one
The XLogP value of 4.8 indicates that 4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one. Following Lipinski's Rule of Five, 4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one has 0 hydrogen bond donor(s) and 3 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 4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one?
The CAS number of 4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one is 56969-63-2.
What is the molecular formula of 4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one?
The molecular formula of 4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one is C19H17NO3.
What is the molecular weight of 4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one?
The molecular weight of 4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one is 307.12 g/mol.
Where can I buy 4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one?
You can request a quote for 4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4,4-dimethyl-2-[(2-nitrophenyl)methylidene]-3H-naphthalen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.