N-benzyl-3-(3-nitrophenyl)prop-2-enamide
TL;DR: N-benzyl-3-(3-nitrophenyl)prop-2-enamide (CAS 1085449-49-5) is a chemical compound with molecular formula C16H14N2O3 and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-(3-nitrophenyl)prop-2-enamide
Also Known As: N-benzyl-3-(3-nitrophenyl)prop-2-enamide, N-benzyl-3-(3-nitrophenyl)acrylamide
| Molecular Formula | C16H14N2O3 |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 74.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.10043 |
| Heavy Atoms | 21 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 1085449-49-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | MIMUATZTMMEUDC-UHFFFAOYSA-N |
Product Overview
N-benzyl-3-(3-nitrophenyl)prop-2-enamide (CAS 1085449-49-5), with molecular formula C16H14N2O3 and molecular weight 282.10 g/mol. IUPAC: N-benzyl-3-(3-nitrophenyl)prop-2-enamide.
Chemical Property Profile of N-benzyl-3-(3-nitrophenyl)prop-2-enamide
Property Insights of N-benzyl-3-(3-nitrophenyl)prop-2-enamide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-3-(3-nitrophenyl)prop-2-enamide. The TPSA of 74.9 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-3-(3-nitrophenyl)prop-2-enamide. Following Lipinski's Rule of Five, N-benzyl-3-(3-nitrophenyl)prop-2-enamide has 1 hydrogen bond donor(s) and 3 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 N-benzyl-3-(3-nitrophenyl)prop-2-enamide?
The CAS number of N-benzyl-3-(3-nitrophenyl)prop-2-enamide is 1085449-49-5.
What is the molecular formula of N-benzyl-3-(3-nitrophenyl)prop-2-enamide?
The molecular formula of N-benzyl-3-(3-nitrophenyl)prop-2-enamide is C16H14N2O3.
What is the molecular weight of N-benzyl-3-(3-nitrophenyl)prop-2-enamide?
The molecular weight of N-benzyl-3-(3-nitrophenyl)prop-2-enamide is 282.10 g/mol.
Where can I buy N-benzyl-3-(3-nitrophenyl)prop-2-enamide?
You can request a quote for N-benzyl-3-(3-nitrophenyl)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 N-benzyl-3-(3-nitrophenyl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-(3-nitrophenyl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.