3-(4-benzylpiperidine-1-carbonyl)-6-nitro-2H-chromen-2-one
TL;DR: 3-(4-benzylpiperidine-1-carbonyl)-6-nitro-2H-chromen-2-one (CAS 710987-65-8) is a chemical compound with molecular formula C22H20N2O5 and molecular weight 392.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzylpiperidine-1-carbonyl)-6-nitrochromen-2-one
Also Known As: 3-(4-benzylpiperidine-1-carbonyl)-6-nitro-2H-chromen-2-one, VU0610330-1, 6-nitro-3-{[4-benzylpiperidyl]carbonyl}chromen-2-one, 3-(4-benzylpiperidine-1-carbonyl)-6-nitrochromen-2-one, F3318-0141
| Molecular Formula | C22H20N2O5 |
|---|---|
| Molecular Weight | 392.14 g/mol |
| LogP | 3.7961 |
| Topological Polar Surface Area | 93.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.1372 |
| Heavy Atoms | 29 |
| Complexity | 1115.0009 |
Chemical Identifiers
| CAS Number | 710987-65-8 |
|---|---|
| SMILES | C1CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O |
Product Overview
3-(4-benzylpiperidine-1-carbonyl)-6-nitro-2H-chromen-2-one (CAS 710987-65-8), with molecular formula C22H20N2O5 and molecular weight 392.14 g/mol. IUPAC: 3-(4-benzylpiperidine-1-carbonyl)-6-nitrochromen-2-one.
Chemical Property Profile of 3-(4-benzylpiperidine-1-carbonyl)-6-nitro-2H-chromen-2-one
Property Insights of 3-(4-benzylpiperidine-1-carbonyl)-6-nitro-2H-chromen-2-one
The XLogP value of 3.7961 indicates that 3-(4-benzylpiperidine-1-carbonyl)-6-nitro-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-benzylpiperidine-1-carbonyl)-6-nitro-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-(4-benzylpiperidine-1-carbonyl)-6-nitro-2H-chromen-2-one has 0 hydrogen bond donor(s) and 5 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 3-(4-benzylpiperidine-1-carbonyl)-6-nitro-2H-chromen-2-one?
The CAS number of 3-(4-benzylpiperidine-1-carbonyl)-6-nitro-2H-chromen-2-one is 710987-65-8.
What is the molecular formula of 3-(4-benzylpiperidine-1-carbonyl)-6-nitro-2H-chromen-2-one?
The molecular formula of 3-(4-benzylpiperidine-1-carbonyl)-6-nitro-2H-chromen-2-one is C22H20N2O5.
What is the molecular weight of 3-(4-benzylpiperidine-1-carbonyl)-6-nitro-2H-chromen-2-one?
The molecular weight of 3-(4-benzylpiperidine-1-carbonyl)-6-nitro-2H-chromen-2-one is 392.14 g/mol.
Where can I buy 3-(4-benzylpiperidine-1-carbonyl)-6-nitro-2H-chromen-2-one?
You can request a quote for 3-(4-benzylpiperidine-1-carbonyl)-6-nitro-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-benzylpiperidine-1-carbonyl)-6-nitro-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-benzylpiperidine-1-carbonyl)-6-nitro-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.