![[3,3-Dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]-acetamide structure](/static/products/3092/309272-31-9.webp)
[3,3-Dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]-acetamide
TL;DR: [3,3-Dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]-acetamide (CAS 309272-31-9) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide
Also Known As: ChemDiv1_026042, BAS 00394674, [3,3-dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]-acetamide, 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide, 2-(3,3-Dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)acetamide
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 309272-31-9 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=CC(=O)N)N1)C |
| InChIKey | PZZCIOGSQRXPIF-UHFFFAOYSA-N |
Product Overview
[3,3-Dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]-acetamide (CAS 309272-31-9), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide.
Chemical Property Profile of [3,3-Dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]-acetamide
Property Insights of [3,3-Dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]-acetamide
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3,3-Dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]-acetamide. With a topological polar surface area (TPSA) of 55.1 Ų, [3,3-Dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]-acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [3,3-Dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]-acetamide has 2 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 [3,3-Dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]-acetamide?
The CAS number of [3,3-Dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]-acetamide is 309272-31-9.
What is the molecular formula of [3,3-Dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]-acetamide?
The molecular formula of [3,3-Dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]-acetamide is C13H16N2O.
What is the molecular weight of [3,3-Dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]-acetamide?
The molecular weight of [3,3-Dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]-acetamide is 216.13 g/mol.
Where can I buy [3,3-Dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]-acetamide?
You can request a quote for [3,3-Dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]-acetamide 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-3,4-dihydroisoquinolin-1(2h)-ylidene]-acetamide?
Yes, KEHONG BIO provides custom synthesis services for [3,3-Dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.