BIM-0027816.P001
TL;DR: BIM-0027816.P001 (CAS 170658-10-3) is a chemical compound with molecular formula C19H19N3O3 and molecular weight 337.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(4-nitrophenyl)acetamide
Also Known As: BIM-0027816.P001, (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(4-nitrophenyl)acetamide, (2Z)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-(4-nitrophenyl)ethanamide, (Z)-2-(3,3-dimethyl-3,4-dihydroisoquinolin-1(2H)-ylidene)-N-(4-nitrophenyl)acetamide, 2-(3,3-dimethyl(2,3,4-trihydroisoquinolylidene))-N-(4-nitrophenyl)acetamide
| Molecular Formula | C19H19N3O3 |
|---|---|
| Molecular Weight | 337.14 g/mol |
| LogP | 3.4987 |
| Topological Polar Surface Area | 84.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.14264 |
| Heavy Atoms | 25 |
| Complexity | 854.47296 |
Chemical Identifiers
| CAS Number | 170658-10-3 |
|---|---|
| SMILES | CC1(CC2=CC=CC=C2/C(=C/C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])/N1)C |
Product Overview
BIM-0027816.P001 (CAS 170658-10-3), with molecular formula C19H19N3O3 and molecular weight 337.14 g/mol. IUPAC: (2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of BIM-0027816.P001
Property Insights of BIM-0027816.P001
The XLogP value of 3.4987 indicates that BIM-0027816.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.27 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0027816.P001. Following Lipinski's Rule of Five, BIM-0027816.P001 has 2 hydrogen bond donor(s) and 4 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 BIM-0027816.P001?
The CAS number of BIM-0027816.P001 is 170658-10-3.
What is the molecular formula of BIM-0027816.P001?
The molecular formula of BIM-0027816.P001 is C19H19N3O3.
What is the molecular weight of BIM-0027816.P001?
The molecular weight of BIM-0027816.P001 is 337.14 g/mol.
Where can I buy BIM-0027816.P001?
You can request a quote for BIM-0027816.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0027816.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0027816.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.