AI-559/08468013
TL;DR: AI-559/08468013 (CAS 148458-21-3) is a chemical compound with molecular formula C30H32N2O5 and molecular weight 500.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-4-(2-nitrophenyl)-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
Also Known As: AI-559/08468013, 2-isopropyl-5-methylcyclohexyl 4-{2-nitrophenyl}-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate, (5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-4-(2-nitrophenyl)-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate, 1,4-Dihydro-2-methyl-4-(2-nitrophenyl)-5-oxo-5H-indeno[1,2-b]pyridine-3-carboxylic acid 3-menthyl ester, 5-methyl-2-(propan-2-yl)cyclohexyl 2-methyl-4-(2-nitrophenyl)-5-oxo-1H,4H,5H-indeno[1,2-b]pyridine-3-carboxylate
| Molecular Formula | C30H32N2O5 |
|---|---|
| Molecular Weight | 500.23 g/mol |
| LogP | 6.1672 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 500.2311 |
| Heavy Atoms | 37 |
| Complexity | 1355.2454 |
Chemical Identifiers
| CAS Number | 148458-21-3 |
|---|---|
| SMILES | CC1CCC(C(C1)OC(=O)C2=C(NC3=C(C2C4=CC=CC=C4[N+](=O)[O-])C(=O)C5=CC=CC=C53)C)C(C)C |
Product Overview
AI-559/08468013 (CAS 148458-21-3), with molecular formula C30H32N2O5 and molecular weight 500.23 g/mol. IUPAC: (5-methyl-2-propan-2-ylcyclohexyl) 2-methyl-4-(2-nitrophenyl)-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate.
Chemical Property Profile of AI-559/08468013
Property Insights of AI-559/08468013
The XLogP value of 6.1672 indicates that AI-559/08468013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.54 Ų falls within the moderate polarity range, balancing permeability and solubility for AI-559/08468013. Following Lipinski's Rule of Five, AI-559/08468013 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AI-559/08468013?
The CAS number of AI-559/08468013 is 148458-21-3.
What is the molecular formula of AI-559/08468013?
The molecular formula of AI-559/08468013 is C30H32N2O5.
What is the molecular weight of AI-559/08468013?
The molecular weight of AI-559/08468013 is 500.23 g/mol.
Where can I buy AI-559/08468013?
You can request a quote for AI-559/08468013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-559/08468013?
Yes, KEHONG BIO provides custom synthesis services for AI-559/08468013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.