1'-Methyl-4'-(nitromethyl)-1',4'-dihydro-2,3'-biquinoline
TL;DR: 1'-Methyl-4'-(nitromethyl)-1',4'-dihydro-2,3'-biquinoline (CAS 354769-90-7) is a chemical compound with molecular formula C20H17N3O2 and molecular weight 331.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(nitromethyl)-3-quinolin-2-yl-4H-quinoline
Also Known As: ChemDiv1_023597, 1'-methyl-4'-(nitromethyl)-1',4'-dihydro-2,3'-biquinoline, 1'-methyl-4'-(nitromethyl)-4'H-2,3'-biquinoline, 1-methyl-4-(nitromethyl)-3-quinolin-2-yl-4H-quinoline, 1'-methyl-4'-nitromethyl-1',4'-dihydro-2,3'-biquinolyl
| Molecular Formula | C20H17N3O2 |
|---|---|
| Molecular Weight | 331.13 g/mol |
| LogP | 4.086 |
| Topological Polar Surface Area | 59.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.13208 |
| Heavy Atoms | 25 |
| Complexity | 996.90765 |
Chemical Identifiers
| CAS Number | 354769-90-7 |
|---|---|
| SMILES | CN1C=C(C(C2=CC=CC=C21)C[N+](=O)[O-])C3=NC4=CC=CC=C4C=C3 |
Product Overview
1'-Methyl-4'-(nitromethyl)-1',4'-dihydro-2,3'-biquinoline (CAS 354769-90-7), with molecular formula C20H17N3O2 and molecular weight 331.13 g/mol. IUPAC: 1-methyl-4-(nitromethyl)-3-quinolin-2-yl-4H-quinoline.
Chemical Property Profile of 1'-Methyl-4'-(nitromethyl)-1',4'-dihydro-2,3'-biquinoline
Property Insights of 1'-Methyl-4'-(nitromethyl)-1',4'-dihydro-2,3'-biquinoline
The XLogP value of 4.086 indicates that 1'-Methyl-4'-(nitromethyl)-1',4'-dihydro-2,3'-biquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.27 Ų, 1'-Methyl-4'-(nitromethyl)-1',4'-dihydro-2,3'-biquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1'-Methyl-4'-(nitromethyl)-1',4'-dihydro-2,3'-biquinoline has 0 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 1'-Methyl-4'-(nitromethyl)-1',4'-dihydro-2,3'-biquinoline?
The CAS number of 1'-Methyl-4'-(nitromethyl)-1',4'-dihydro-2,3'-biquinoline is 354769-90-7.
What is the molecular formula of 1'-Methyl-4'-(nitromethyl)-1',4'-dihydro-2,3'-biquinoline?
The molecular formula of 1'-Methyl-4'-(nitromethyl)-1',4'-dihydro-2,3'-biquinoline is C20H17N3O2.
What is the molecular weight of 1'-Methyl-4'-(nitromethyl)-1',4'-dihydro-2,3'-biquinoline?
The molecular weight of 1'-Methyl-4'-(nitromethyl)-1',4'-dihydro-2,3'-biquinoline is 331.13 g/mol.
Where can I buy 1'-Methyl-4'-(nitromethyl)-1',4'-dihydro-2,3'-biquinoline?
You can request a quote for 1'-Methyl-4'-(nitromethyl)-1',4'-dihydro-2,3'-biquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1'-Methyl-4'-(nitromethyl)-1',4'-dihydro-2,3'-biquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1'-Methyl-4'-(nitromethyl)-1',4'-dihydro-2,3'-biquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.