![[4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone structure](/static/products/4400/440091-08-7.webp)
[4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone
TL;DR: [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone (CAS 440091-08-7) is a chemical compound with molecular formula C22H22N4O3S and molecular weight 422.14 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]-thiophen-2-ylmethanone
Also Known As: [4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone, {4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl}(thiophen-2-yl)methanone, [4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]-thiophen-2-yl-methanone
| Molecular Formula | C22H22N4O3S |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | 4.2308 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.14127 |
| Heavy Atoms | 30 |
| Complexity | 1016.1266 |
Chemical Identifiers
| CAS Number | 440091-08-7 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)C(=O)C4=CC=CS4 |
Product Overview
[4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone (CAS 440091-08-7), with molecular formula C22H22N4O3S and molecular weight 422.14 g/mol. IUPAC: [4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone.
Chemical Property Profile of [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone
Property Insights of [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone
The XLogP value of 4.2308 indicates that [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.72 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone. Following Lipinski's Rule of Five, [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone 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]-thiophen-2-ylmethanone?
The CAS number of [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone is 440091-08-7.
What is the molecular formula of [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The molecular formula of [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone is C22H22N4O3S.
What is the molecular weight of [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone?
The molecular weight of [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone is 422.14 g/mol.
Where can I buy [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone?
You can request a quote for [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone 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]-thiophen-2-ylmethanone?
Yes, KEHONG BIO provides custom synthesis services for [4-[3-(Benzylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.