(3,5-Dinitro-2-(piperidin-1-yl)phenyl)(phenyl)methanone
TL;DR: (3,5-Dinitro-2-(piperidin-1-yl)phenyl)(phenyl)methanone (CAS 111622-62-9) is a chemical compound with molecular formula C18H17N3O5 and molecular weight 355.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,5-dinitro-2-piperidin-1-ylphenyl)-phenylmethanone
Also Known As: (3,5-dinitro-2-piperidin-1-ylphenyl)-phenylmethanone, (3,5-dinitro-2-(piperidin-1-yl)phenyl)(phenyl)methanone, [3,5-dinitro-2-(piperidin-1-yl)phenyl](phenyl)methanone
| Molecular Formula | C18H17N3O5 |
|---|---|
| Molecular Weight | 355.12 g/mol |
| LogP | 3.7243 |
| Topological Polar Surface Area | 106.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 355.11682 |
| Heavy Atoms | 26 |
| Complexity | 860.6303 |
Chemical Identifiers
| CAS Number | 111622-62-9 |
|---|---|
| SMILES | C1CCN(CC1)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(=O)C3=CC=CC=C3 |
Product Overview
(3,5-Dinitro-2-(piperidin-1-yl)phenyl)(phenyl)methanone (CAS 111622-62-9), with molecular formula C18H17N3O5 and molecular weight 355.12 g/mol. IUPAC: (3,5-dinitro-2-piperidin-1-ylphenyl)-phenylmethanone.
Chemical Property Profile of (3,5-Dinitro-2-(piperidin-1-yl)phenyl)(phenyl)methanone
Property Insights of (3,5-Dinitro-2-(piperidin-1-yl)phenyl)(phenyl)methanone
The XLogP value of 3.7243 indicates that (3,5-Dinitro-2-(piperidin-1-yl)phenyl)(phenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.59 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,5-Dinitro-2-(piperidin-1-yl)phenyl)(phenyl)methanone. Following Lipinski's Rule of Five, (3,5-Dinitro-2-(piperidin-1-yl)phenyl)(phenyl)methanone has 0 hydrogen bond donor(s) and 6 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 (3,5-Dinitro-2-(piperidin-1-yl)phenyl)(phenyl)methanone?
The CAS number of (3,5-Dinitro-2-(piperidin-1-yl)phenyl)(phenyl)methanone is 111622-62-9.
What is the molecular formula of (3,5-Dinitro-2-(piperidin-1-yl)phenyl)(phenyl)methanone?
The molecular formula of (3,5-Dinitro-2-(piperidin-1-yl)phenyl)(phenyl)methanone is C18H17N3O5.
What is the molecular weight of (3,5-Dinitro-2-(piperidin-1-yl)phenyl)(phenyl)methanone?
The molecular weight of (3,5-Dinitro-2-(piperidin-1-yl)phenyl)(phenyl)methanone is 355.12 g/mol.
Where can I buy (3,5-Dinitro-2-(piperidin-1-yl)phenyl)(phenyl)methanone?
You can request a quote for (3,5-Dinitro-2-(piperidin-1-yl)phenyl)(phenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,5-Dinitro-2-(piperidin-1-yl)phenyl)(phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (3,5-Dinitro-2-(piperidin-1-yl)phenyl)(phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.