RefChem:252761
TL;DR: RefChem:252761 (CAS 355420-93-8) is a chemical compound with molecular formula C27H22N2O5 and molecular weight 454.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-nitrophenyl)-2-oxoethyl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
Also Known As: 2-(4-nitrophenyl)-2-oxoethyl 3,6-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxylate, 2-(4-Nitrophenyl)-2-oxoethyl 3,6-dimethyl-2-(p-tolyl)quinoline-4-carboxylate, 2-(4-nitrophenyl)-2-oxoethyl 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate, [2-(4-nitrophenyl)-2-oxoethyl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate, [2-(4-nitrophenyl)-2-oxo-ethyl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate
| Molecular Formula | C27H22N2O5 |
|---|---|
| Molecular Weight | 454.15 g/mol |
| LogP | 5.77496 |
| Topological Polar Surface Area | 99.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.15286 |
| Heavy Atoms | 34 |
| Complexity | 1424.627 |
Chemical Identifiers
| CAS Number | 355420-93-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C)C(=C2C)C(=O)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
RefChem:252761 (CAS 355420-93-8), with molecular formula C27H22N2O5 and molecular weight 454.15 g/mol. IUPAC: [2-(4-nitrophenyl)-2-oxoethyl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate.
Chemical Property Profile of RefChem:252761
Property Insights of RefChem:252761
The XLogP value of 5.77496 indicates that RefChem:252761 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:252761. Following Lipinski's Rule of Five, RefChem:252761 has 0 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 RefChem:252761?
The CAS number of RefChem:252761 is 355420-93-8.
What is the molecular formula of RefChem:252761?
The molecular formula of RefChem:252761 is C27H22N2O5.
What is the molecular weight of RefChem:252761?
The molecular weight of RefChem:252761 is 454.15 g/mol.
Where can I buy RefChem:252761?
You can request a quote for RefChem:252761 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:252761?
Yes, KEHONG BIO provides custom synthesis services for RefChem:252761 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.