AI-020/36785001
TL;DR: AI-020/36785001 (CAS 170658-29-4) is a chemical compound with molecular formula C28H29N3O2 and molecular weight 439.23 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'-bis(4-methylphenyl)propanediamide
Also Known As: AI-020/36785001, 2-(3,3-dimethyl-3,4-dihydro-1(2H)-isoquinolinylidene)-N~1~,N~3~-bis(4-methylphenyl)malonamide, Propanediamide, N,N'-bis(4-methylphenyl)-2-(3,4-dihydro-3,3-dimethyl- 1(2H)-isoquinolinylidene)-, 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N,N'-bis(4-methylphenyl)propanediamide, Propanediamide, N,N'-bis(4-methylphenyl)-2-(3,4-dihydro-3,3-dimethyl-1(2H)-isoquinolinylidene)-
| Molecular Formula | C28H29N3O2 |
|---|---|
| Molecular Weight | 439.23 g/mol |
| LogP | 5.21624 |
| Topological Polar Surface Area | 70.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 439.22598 |
| Heavy Atoms | 33 |
| Complexity | 1161.2572 |
Chemical Identifiers
| CAS Number | 170658-29-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)C(=C2C3=CC=CC=C3CC(N2)(C)C)C(=O)NC4=CC=C(C=C4)C |
Product Overview
AI-020/36785001 (CAS 170658-29-4), with molecular formula C28H29N3O2 and molecular weight 439.23 g/mol. IUPAC: 2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N,N'-bis(4-methylphenyl)propanediamide.
Chemical Property Profile of AI-020/36785001
Property Insights of AI-020/36785001
The XLogP value of 5.21624 indicates that AI-020/36785001 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 AI-020/36785001. Following Lipinski's Rule of Five, AI-020/36785001 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AI-020/36785001?
The CAS number of AI-020/36785001 is 170658-29-4.
What is the molecular formula of AI-020/36785001?
The molecular formula of AI-020/36785001 is C28H29N3O2.
What is the molecular weight of AI-020/36785001?
The molecular weight of AI-020/36785001 is 439.23 g/mol.
Where can I buy AI-020/36785001?
You can request a quote for AI-020/36785001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-020/36785001?
Yes, KEHONG BIO provides custom synthesis services for AI-020/36785001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.