![2-[2-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid structure](/static/products/105/1054547-45-3.png)
2-[2-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid
TL;DR: 2-[2-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid (CAS 1054547-45-3) is a chemical compound with molecular formula C18H12Cl2N2O4 and molecular weight 390.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid
Also Known As: 2-[2-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid, 2-(2-{2-cyano-2-[(3,5-dichlorophenyl)carbamoyl]eth-1-en-1-yl}phenoxy)acetic acid, 2-[2-[(E)-2-cyano-2-[(3,5-dichlorophenyl)carbamoyl]ethenyl]phenoxy]acetic Acid
| Molecular Formula | C18H12Cl2N2O4 |
|---|---|
| Molecular Weight | 390.02 g/mol |
| LogP | 4.00248 |
| Topological Polar Surface Area | 99.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.01743 |
| Heavy Atoms | 26 |
| Complexity | 899.3974 |
Chemical Identifiers
| CAS Number | 1054547-45-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C(\C#N)/C(=O)NC2=CC(=CC(=C2)Cl)Cl)OCC(=O)O |
Product Overview
2-[2-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid (CAS 1054547-45-3), with molecular formula C18H12Cl2N2O4 and molecular weight 390.02 g/mol. IUPAC: 2-[2-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid.
Chemical Property Profile of 2-[2-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid
Property Insights of 2-[2-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid
The XLogP value of 4.00248 indicates that 2-[2-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.42 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid. Following Lipinski's Rule of Five, 2-[2-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid has 2 hydrogen bond donor(s) and 4 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 2-[2-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid?
The CAS number of 2-[2-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid is 1054547-45-3.
What is the molecular formula of 2-[2-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid?
The molecular formula of 2-[2-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid is C18H12Cl2N2O4.
What is the molecular weight of 2-[2-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid?
The molecular weight of 2-[2-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid is 390.02 g/mol.
Where can I buy 2-[2-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid?
You can request a quote for 2-[2-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[2-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-[(E)-2-cyano-3-(3,5-dichloroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.