3-(4,5-Dimethoxy-2-nitrophenyl)-N-((4-chlorophenyl)methyl)prop-2-enamide
TL;DR: 3-(4,5-Dimethoxy-2-nitrophenyl)-N-((4-chlorophenyl)methyl)prop-2-enamide (CAS 331461-80-4) is a chemical compound with molecular formula C18H17ClN2O5 and molecular weight 376.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enamide
Also Known As: N-(4-chlorobenzyl)-3-(4,5-dimethoxy-2-nitrophenyl)acrylamide, 3-(4,5-DIMETHOXY-2-NITROPHENYL)-N-((4-CHLOROPHENYL)METHYL)PROP-2-ENAMIDE, N-[(4-chlorophenyl)methyl]-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enamide, N-[(4-chlorophenyl)methyl]-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enamide, C18H17ClN2O5
| Molecular Formula | C18H17ClN2O5 |
|---|---|
| Molecular Weight | 376.08 g/mol |
| LogP | 3.595 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 376.0826 |
| Heavy Atoms | 26 |
| Complexity | 834.2203 |
Chemical Identifiers
| CAS Number | 331461-80-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C=CC(=O)NCC2=CC=C(C=C2)Cl)[N+](=O)[O-])OC |
Product Overview
3-(4,5-Dimethoxy-2-nitrophenyl)-N-((4-chlorophenyl)methyl)prop-2-enamide (CAS 331461-80-4), with molecular formula C18H17ClN2O5 and molecular weight 376.08 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enamide.
Chemical Property Profile of 3-(4,5-Dimethoxy-2-nitrophenyl)-N-((4-chlorophenyl)methyl)prop-2-enamide
Property Insights of 3-(4,5-Dimethoxy-2-nitrophenyl)-N-((4-chlorophenyl)methyl)prop-2-enamide
The XLogP value of 3.595 indicates that 3-(4,5-Dimethoxy-2-nitrophenyl)-N-((4-chlorophenyl)methyl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4,5-Dimethoxy-2-nitrophenyl)-N-((4-chlorophenyl)methyl)prop-2-enamide. Following Lipinski's Rule of Five, 3-(4,5-Dimethoxy-2-nitrophenyl)-N-((4-chlorophenyl)methyl)prop-2-enamide 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-(4,5-Dimethoxy-2-nitrophenyl)-N-((4-chlorophenyl)methyl)prop-2-enamide?
The CAS number of 3-(4,5-Dimethoxy-2-nitrophenyl)-N-((4-chlorophenyl)methyl)prop-2-enamide is 331461-80-4.
What is the molecular formula of 3-(4,5-Dimethoxy-2-nitrophenyl)-N-((4-chlorophenyl)methyl)prop-2-enamide?
The molecular formula of 3-(4,5-Dimethoxy-2-nitrophenyl)-N-((4-chlorophenyl)methyl)prop-2-enamide is C18H17ClN2O5.
What is the molecular weight of 3-(4,5-Dimethoxy-2-nitrophenyl)-N-((4-chlorophenyl)methyl)prop-2-enamide?
The molecular weight of 3-(4,5-Dimethoxy-2-nitrophenyl)-N-((4-chlorophenyl)methyl)prop-2-enamide is 376.08 g/mol.
Where can I buy 3-(4,5-Dimethoxy-2-nitrophenyl)-N-((4-chlorophenyl)methyl)prop-2-enamide?
You can request a quote for 3-(4,5-Dimethoxy-2-nitrophenyl)-N-((4-chlorophenyl)methyl)prop-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4,5-Dimethoxy-2-nitrophenyl)-N-((4-chlorophenyl)methyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4,5-Dimethoxy-2-nitrophenyl)-N-((4-chlorophenyl)methyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.