![(3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone structure](/static/products/7745/774563-85-8.webp)
(3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone
TL;DR: (3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone (CAS 774563-85-8) is a chemical compound with molecular formula C21H23ClN4O3 and molecular weight 414.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone
Also Known As: (3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone, (3-chloro-4-methylphenyl){4-[4-nitro-3-(prop-2-en-1-ylamino)phenyl]piperazin-1-yl}methanone
| Molecular Formula | C21H23ClN4O3 |
|---|---|
| Molecular Weight | 414.15 g/mol |
| LogP | 4.11692 |
| Topological Polar Surface Area | 78.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 414.14587 |
| Heavy Atoms | 29 |
| Complexity | 939.5186 |
Chemical Identifiers
| CAS Number | 774563-85-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC=C)Cl |
Product Overview
(3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone (CAS 774563-85-8), with molecular formula C21H23ClN4O3 and molecular weight 414.15 g/mol. IUPAC: (3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone.
Chemical Property Profile of (3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone
Property Insights of (3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone
The XLogP value of 4.11692 indicates that (3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone 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 (3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone. Following Lipinski's Rule of Five, (3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone has 1 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-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone?
The CAS number of (3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone is 774563-85-8.
What is the molecular formula of (3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone?
The molecular formula of (3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone is C21H23ClN4O3.
What is the molecular weight of (3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone?
The molecular weight of (3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone is 414.15 g/mol.
Where can I buy (3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone?
You can request a quote for (3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone?
Yes, KEHONG BIO provides custom synthesis services for (3-chloro-4-methylphenyl)-[4-[4-nitro-3-(prop-2-enylamino)phenyl]piperazin-1-yl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.