![methyl (4-{(1Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate structure](/static/products/3403/340301-57-7.webp)
methyl (4-{(1Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate
TL;DR: methyl (4-{(1Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate (CAS 340301-57-7) is a chemical compound with molecular formula C21H20N2O5 and molecular weight 380.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(Z)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetate
Also Known As: methyl (4-{(1Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate, (Z)-methyl 2-(4-(2-cyano-3-oxo-3-(m-tolylamino)prop-1-en-1-yl)-2-methoxyphenoxy)acetate, methyl 2-[4-[(Z)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetate
| Molecular Formula | C21H20N2O5 |
|---|---|
| Molecular Weight | 380.14 g/mol |
| LogP | 3.1011 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.1372 |
| Heavy Atoms | 28 |
| Complexity | 944.05237 |
Chemical Identifiers
| CAS Number | 340301-57-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)/C(=C\C2=CC(=C(C=C2)OCC(=O)OC)OC)/C#N |
Product Overview
methyl (4-{(1Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate (CAS 340301-57-7), with molecular formula C21H20N2O5 and molecular weight 380.14 g/mol. IUPAC: methyl 2-[4-[(Z)-2-cyano-3-(3-methylanilino)-3-oxoprop-1-enyl]-2-methoxyphenoxy]acetate.
Chemical Property Profile of methyl (4-{(1Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate
Property Insights of methyl (4-{(1Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate
The XLogP value of 3.1011 indicates that methyl (4-{(1Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.65 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (4-{(1Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate. Following Lipinski's Rule of Five, methyl (4-{(1Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate 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 methyl (4-{(1Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate?
The CAS number of methyl (4-{(1Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate is 340301-57-7.
What is the molecular formula of methyl (4-{(1Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate?
The molecular formula of methyl (4-{(1Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate is C21H20N2O5.
What is the molecular weight of methyl (4-{(1Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate?
The molecular weight of methyl (4-{(1Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate is 380.14 g/mol.
Where can I buy methyl (4-{(1Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate?
You can request a quote for methyl (4-{(1Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (4-{(1Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (4-{(1Z)-2-cyano-3-[(3-methylphenyl)amino]-3-oxoprop-1-en-1-yl}-2-methoxyphenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.