(1Z)-1-(3,4-Dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-2-propanone
TL;DR: (1Z)-1-(3,4-Dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-2-propanone (CAS 289054-99-5) is a chemical compound with molecular formula C14H17NO and molecular weight 215.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1Z)-1-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)propan-2-one
Also Known As: BIM-0033880.P001, (1Z)-1-(3,4-Dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-2-propanone, (z)-1-[3,3-dimethyl-3,4-dihydroisoquinolin-1(2h)-ylidene]propan-2-one, 1-(3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)acetone, (1Z)-1-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)propan-2-one
| Molecular Formula | C14H17NO |
|---|---|
| Molecular Weight | 215.13 g/mol |
| LogP | 2.5408 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.13101 |
| Heavy Atoms | 16 |
| Complexity | 457.55807 |
Chemical Identifiers
| CAS Number | 289054-99-5 |
|---|---|
| SMILES | CC(=O)/C=C\1/C2=CC=CC=C2CC(N1)(C)C |
Product Overview
(1Z)-1-(3,4-Dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-2-propanone (CAS 289054-99-5), with molecular formula C14H17NO and molecular weight 215.13 g/mol. IUPAC: (1Z)-1-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)propan-2-one.
Chemical Property Profile of (1Z)-1-(3,4-Dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-2-propanone
Property Insights of (1Z)-1-(3,4-Dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-2-propanone
The XLogP value of 2.5408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1Z)-1-(3,4-Dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-2-propanone. With a topological polar surface area (TPSA) of 29.1 Ų, (1Z)-1-(3,4-Dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-2-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1Z)-1-(3,4-Dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-2-propanone has 1 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 (1Z)-1-(3,4-Dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-2-propanone?
The CAS number of (1Z)-1-(3,4-Dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-2-propanone is 289054-99-5.
What is the molecular formula of (1Z)-1-(3,4-Dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-2-propanone?
The molecular formula of (1Z)-1-(3,4-Dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-2-propanone is C14H17NO.
What is the molecular weight of (1Z)-1-(3,4-Dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-2-propanone?
The molecular weight of (1Z)-1-(3,4-Dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-2-propanone is 215.13 g/mol.
Where can I buy (1Z)-1-(3,4-Dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-2-propanone?
You can request a quote for (1Z)-1-(3,4-Dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-2-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1Z)-1-(3,4-Dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-2-propanone?
Yes, KEHONG BIO provides custom synthesis services for (1Z)-1-(3,4-Dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-2-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.