N-(3-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide
TL;DR: N-(3-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide (CAS 358282-20-9) is a chemical compound with molecular formula C17H10ClN3O5 and molecular weight 371.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide
Also Known As: N-(3-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide, N-(3-chlorophenyl)-2-cyano-3-(6-nitro-2H-1,3-benzodioxol-5-yl)prop-2-enamide
| Molecular Formula | C17H10ClN3O5 |
|---|---|
| Molecular Weight | 371.03 g/mol |
| LogP | 3.52258 |
| Topological Polar Surface Area | 114.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.03088 |
| Heavy Atoms | 26 |
| Complexity | 980.849 |
Chemical Identifiers
| CAS Number | 358282-20-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=C(C#N)C(=O)NC3=CC(=CC=C3)Cl)[N+](=O)[O-] |
Product Overview
N-(3-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide (CAS 358282-20-9), with molecular formula C17H10ClN3O5 and molecular weight 371.03 g/mol. IUPAC: N-(3-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide.
Chemical Property Profile of N-(3-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide
Property Insights of N-(3-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide
The XLogP value of 3.52258 indicates that N-(3-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.49 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide. Following Lipinski's Rule of Five, N-(3-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide 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 N-(3-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide?
The CAS number of N-(3-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide is 358282-20-9.
What is the molecular formula of N-(3-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide?
The molecular formula of N-(3-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide is C17H10ClN3O5.
What is the molecular weight of N-(3-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide?
The molecular weight of N-(3-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide is 371.03 g/mol.
Where can I buy N-(3-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide?
You can request a quote for N-(3-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)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-(3-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chlorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.