![[4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone structure](/static/products/4319/431994-06-8.webp)
[4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone
TL;DR: [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone (CAS 431994-06-8) is a chemical compound with molecular formula C26H28N4O4 and molecular weight 460.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone
Also Known As: AB00119300-01, A3045/0128553, [4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone, {4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}(4-ethoxyphenyl)methanone, N-BENZYL-5-[4-(4-ETHOXYBENZOYL)PIPERAZIN-1-YL]-2-NITROANILINE
| Molecular Formula | C26H28N4O4 |
|---|---|
| Molecular Weight | 460.21 g/mol |
| LogP | 4.568 |
| Topological Polar Surface Area | 87.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.21106 |
| Heavy Atoms | 34 |
| Complexity | 1127.2974 |
Chemical Identifiers
| CAS Number | 431994-06-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4 |
Product Overview
[4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone (CAS 431994-06-8), with molecular formula C26H28N4O4 and molecular weight 460.21 g/mol. IUPAC: [4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone.
Chemical Property Profile of [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone
Property Insights of [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone
The XLogP value of 4.568 indicates that [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.95 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone. Following Lipinski's Rule of Five, [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone has 1 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 [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone?
The CAS number of [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone is 431994-06-8.
What is the molecular formula of [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone?
The molecular formula of [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone is C26H28N4O4.
What is the molecular weight of [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone?
The molecular weight of [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone is 460.21 g/mol.
Where can I buy [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone?
You can request a quote for [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-(4-ethoxyphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.