(2-(Azepan-1-yl)-5-nitrophenyl)(4-chlorophenyl)methanone
TL;DR: (2-(Azepan-1-yl)-5-nitrophenyl)(4-chlorophenyl)methanone (CAS 332881-06-8) is a chemical compound with molecular formula C19H19ClN2O3 and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(azepan-1-yl)-5-nitrophenyl]-(4-chlorophenyl)methanone
Also Known As: BAS 02058966, 1-[2-(4-CHLOROBENZOYL)-4-NITROPHENYL]AZEPANE, 2-azaperhydroepinyl-5-nitrophenyl 4-chlorophenyl ketone, (2-(azepan-1-yl)-5-nitrophenyl)(4-chlorophenyl)methanone, [2-(azepan-1-yl)-5-nitrophenyl](4-chlorophenyl)methanone
| Molecular Formula | C19H19ClN2O3 |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 4.8596 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 358.10843 |
| Heavy Atoms | 25 |
| Complexity | 781.7563 |
Chemical Identifiers
| CAS Number | 332881-06-8 |
|---|---|
| SMILES | C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl |
Product Overview
(2-(Azepan-1-yl)-5-nitrophenyl)(4-chlorophenyl)methanone (CAS 332881-06-8), with molecular formula C19H19ClN2O3 and molecular weight 358.11 g/mol. IUPAC: [2-(azepan-1-yl)-5-nitrophenyl]-(4-chlorophenyl)methanone.
Chemical Property Profile of (2-(Azepan-1-yl)-5-nitrophenyl)(4-chlorophenyl)methanone
Property Insights of (2-(Azepan-1-yl)-5-nitrophenyl)(4-chlorophenyl)methanone
The XLogP value of 4.8596 indicates that (2-(Azepan-1-yl)-5-nitrophenyl)(4-chlorophenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-(Azepan-1-yl)-5-nitrophenyl)(4-chlorophenyl)methanone. Following Lipinski's Rule of Five, (2-(Azepan-1-yl)-5-nitrophenyl)(4-chlorophenyl)methanone 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 (2-(Azepan-1-yl)-5-nitrophenyl)(4-chlorophenyl)methanone?
The CAS number of (2-(Azepan-1-yl)-5-nitrophenyl)(4-chlorophenyl)methanone is 332881-06-8.
What is the molecular formula of (2-(Azepan-1-yl)-5-nitrophenyl)(4-chlorophenyl)methanone?
The molecular formula of (2-(Azepan-1-yl)-5-nitrophenyl)(4-chlorophenyl)methanone is C19H19ClN2O3.
What is the molecular weight of (2-(Azepan-1-yl)-5-nitrophenyl)(4-chlorophenyl)methanone?
The molecular weight of (2-(Azepan-1-yl)-5-nitrophenyl)(4-chlorophenyl)methanone is 358.11 g/mol.
Where can I buy (2-(Azepan-1-yl)-5-nitrophenyl)(4-chlorophenyl)methanone?
You can request a quote for (2-(Azepan-1-yl)-5-nitrophenyl)(4-chlorophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-(Azepan-1-yl)-5-nitrophenyl)(4-chlorophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (2-(Azepan-1-yl)-5-nitrophenyl)(4-chlorophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.