2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N1,N3-diphenylmalonamide
TL;DR: 2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N1,N3-diphenylmalonamide (CAS 170658-22-7) is a chemical compound with molecular formula C26H25N3O2 and molecular weight 411.19 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)-N,N'-diphenylpropanediamide
Also Known As: 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N,N'-diphenyl-propanediamide, 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N,N'-diphenylpropanediamide, 2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N1,N3-diphenylmalonamide
| Molecular Formula | C26H25N3O2 |
|---|---|
| Molecular Weight | 411.19 g/mol |
| LogP | 4.5994 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.19467 |
| Heavy Atoms | 31 |
| Complexity | 1080.0833 |
Chemical Identifiers
| CAS Number | 170658-22-7 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2C(=C(C(=O)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4)N1)C |
Product Overview
2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N1,N3-diphenylmalonamide (CAS 170658-22-7), with molecular formula C26H25N3O2 and molecular weight 411.19 g/mol. IUPAC: 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N,N'-diphenylpropanediamide.
Chemical Property Profile of 2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N1,N3-diphenylmalonamide
Property Insights of 2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N1,N3-diphenylmalonamide
The XLogP value of 4.5994 indicates that 2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N1,N3-diphenylmalonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N1,N3-diphenylmalonamide. Following Lipinski's Rule of Five, 2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N1,N3-diphenylmalonamide has 3 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 2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N1,N3-diphenylmalonamide?
The CAS number of 2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N1,N3-diphenylmalonamide is 170658-22-7.
What is the molecular formula of 2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N1,N3-diphenylmalonamide?
The molecular formula of 2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N1,N3-diphenylmalonamide is C26H25N3O2.
What is the molecular weight of 2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N1,N3-diphenylmalonamide?
The molecular weight of 2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N1,N3-diphenylmalonamide is 411.19 g/mol.
Where can I buy 2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N1,N3-diphenylmalonamide?
You can request a quote for 2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N1,N3-diphenylmalonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N1,N3-diphenylmalonamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N1,N3-diphenylmalonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.