![[4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate structure](/static/products/522/522657-49-4.png)
[4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate
TL;DR: [4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate (CAS 522657-49-4) is a chemical compound with molecular formula C29H20ClN3O6 and molecular weight 541.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate
Also Known As: [4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate|4-{2-[(4-chloro-2-nitrophenyl)carbamoyl]-2-cyanoeth-1-en-1-yl}-2-ethoxyphenyl naphthalene-1-carboxylate|EN300-26608484
| Molecular Formula | C29H20ClN3O6 |
|---|---|
| Molecular Weight | 541.10 g/mol |
| LogP | 6.56498 |
| Topological Polar Surface Area | 131.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 541.10406 |
| Heavy Atoms | 39 |
| Complexity | 1670.4447 |
Chemical Identifiers
| CAS Number | 522657-49-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)Cl)[N+](=O)[O-])OC(=O)C3=CC=CC4=CC=CC=C43 |
Product Overview
[4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate (CAS 522657-49-4), with molecular formula C29H20ClN3O6 and molecular weight 541.10 g/mol. IUPAC: [4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate.
Chemical Property Profile of [4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate
Property Insights of [4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate
The XLogP value of 6.56498 indicates that [4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.56 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate. Following Lipinski's Rule of Five, [4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate?
The CAS number of [4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate is 522657-49-4.
What is the molecular formula of [4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate?
The molecular formula of [4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate is C29H20ClN3O6.
What is the molecular weight of [4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate?
The molecular weight of [4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate is 541.10 g/mol.
Where can I buy [4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate?
You can request a quote for [4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [4-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.