![[2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate structure](/static/products/522/522657-43-8.png)
[2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate
TL;DR: [2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate (CAS 522657-43-8) is a chemical compound with molecular formula C27H16ClN3O5 and molecular weight 497.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate
Also Known As: [2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate|[2-[2-[(4-chloro-2-nitro-phenyl)carbamoyl]-2-cyano-ethenyl]phenyl] Naphthalene-1-carboxylate|2-{2-[(4-chloro-2-nitrophenyl)carbamoyl]-2-cyanoeth-1-en-1-yl}phenyl naphthalene-1-carboxylate|EN300-26607438
| Molecular Formula | C27H16ClN3O5 |
|---|---|
| Molecular Weight | 497.08 g/mol |
| LogP | 6.16628 |
| Topological Polar Surface Area | 122.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.07785 |
| Heavy Atoms | 36 |
| Complexity | 1584.897 |
Chemical Identifiers
| CAS Number | 522657-43-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=CC=CC=C3/C=C(\C#N)/C(=O)NC4=C(C=C(C=C4)Cl)[N+](=O)[O-] |
Product Overview
[2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate (CAS 522657-43-8), with molecular formula C27H16ClN3O5 and molecular weight 497.08 g/mol. IUPAC: [2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate.
Chemical Property Profile of [2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate
Property Insights of [2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate
The XLogP value of 6.16628 indicates that [2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.33 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate. Following Lipinski's Rule of Five, [2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate?
The CAS number of [2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate is 522657-43-8.
What is the molecular formula of [2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate?
The molecular formula of [2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate is C27H16ClN3O5.
What is the molecular weight of [2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate?
The molecular weight of [2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate is 497.08 g/mol.
Where can I buy [2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate?
You can request a quote for [2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] 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 [2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(E)-3-(4-chloro-2-nitroanilino)-2-cyano-3-oxoprop-1-enyl]phenyl] naphthalene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.