![(2E)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one structure](/static/products/5128/512815-07-5.webp)
(2E)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one
TL;DR: (2E)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one (CAS 512815-07-5) is a chemical compound with molecular formula C16H16N2O and molecular weight 252.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one
Also Known As: F3412-0089, 2-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-3,4-dihydro-1(2H)-naphthalenone, (2E)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one, (E)-2-((1,3-dimethyl-1H-pyrazol-4-yl)methylene)-3,4-dihydronaphthalen-1(2H)-one
| Molecular Formula | C16H16N2O |
|---|---|
| Molecular Weight | 252.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.12627 |
| Heavy Atoms | 19 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 512815-07-5 |
|---|---|
| SMILES | CC1=NN(C=C1/C=C/2\CCC3=CC=CC=C3C2=O)C |
| InChIKey | XKOHTAMYCDGOHF-UKTHLTGXSA-N |
Product Overview
(2E)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one (CAS 512815-07-5), with molecular formula C16H16N2O and molecular weight 252.13 g/mol. IUPAC: (2E)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one.
Chemical Property Profile of (2E)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one
Property Insights of (2E)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one. With a topological polar surface area (TPSA) of 34.9 Ų, (2E)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one has 0 hydrogen bond donor(s) and 2 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 (2E)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one?
The CAS number of (2E)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one is 512815-07-5.
What is the molecular formula of (2E)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one?
The molecular formula of (2E)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one is C16H16N2O.
What is the molecular weight of (2E)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one?
The molecular weight of (2E)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one is 252.13 g/mol.
Where can I buy (2E)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one?
You can request a quote for (2E)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-2-[(1,3-dimethylpyrazol-4-yl)methylidene]-3,4-dihydronaphthalen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.