N-(3-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-dioxaindan-5-yl)prop-2-enamide
TL;DR: N-(3-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-dioxaindan-5-yl)prop-2-enamide (CAS 872212-85-6) is a chemical compound with molecular formula C17H9ClFN3O5 and molecular weight 389.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide
Also Known As: N-(3-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-dioxaindan-5-yl)prop-2-enamide, (E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide
| Molecular Formula | C17H9ClFN3O5 |
|---|---|
| Molecular Weight | 389.02 g/mol |
| LogP | 3.66168 |
| Topological Polar Surface Area | 114.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.02148 |
| Heavy Atoms | 27 |
| Complexity | 1031.9595 |
Chemical Identifiers
| CAS Number | 872212-85-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)/C=C(\C#N)/C(=O)NC3=CC(=C(C=C3)F)Cl)[N+](=O)[O-] |
Product Overview
N-(3-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-dioxaindan-5-yl)prop-2-enamide (CAS 872212-85-6), with molecular formula C17H9ClFN3O5 and molecular weight 389.02 g/mol. IUPAC: (E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enamide.
Chemical Property Profile of N-(3-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-dioxaindan-5-yl)prop-2-enamide
Property Insights of N-(3-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-dioxaindan-5-yl)prop-2-enamide
The XLogP value of 3.66168 indicates that N-(3-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-dioxaindan-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-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-dioxaindan-5-yl)prop-2-enamide. Following Lipinski's Rule of Five, N-(3-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-dioxaindan-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-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-dioxaindan-5-yl)prop-2-enamide?
The CAS number of N-(3-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-dioxaindan-5-yl)prop-2-enamide is 872212-85-6.
What is the molecular formula of N-(3-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-dioxaindan-5-yl)prop-2-enamide?
The molecular formula of N-(3-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-dioxaindan-5-yl)prop-2-enamide is C17H9ClFN3O5.
What is the molecular weight of N-(3-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-dioxaindan-5-yl)prop-2-enamide?
The molecular weight of N-(3-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-dioxaindan-5-yl)prop-2-enamide is 389.02 g/mol.
Where can I buy N-(3-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-dioxaindan-5-yl)prop-2-enamide?
You can request a quote for N-(3-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-dioxaindan-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-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-dioxaindan-5-yl)prop-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-chloro-4-fluorophenyl)-2-cyano-3-(6-nitro-1,3-dioxaindan-5-yl)prop-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.