![methyl {2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-6-methoxyphenoxy}acetate structure](/static/products/3402/340230-52-6.webp)
methyl {2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-6-methoxyphenoxy}acetate
TL;DR: methyl {2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-6-methoxyphenoxy}acetate (CAS 340230-52-6) is a chemical compound with molecular formula C20H17ClN2O5 and molecular weight 400.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-chloro-6-methoxyphenoxy]acetate
Also Known As: methyl {2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-6-methoxyphenoxy}acetate, methyl 2-[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-chloro-6-methoxyphenoxy]acetate, (Z)-methyl 2-(2-chloro-4-(2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl)-6-methoxyphenoxy)acetate
| Molecular Formula | C20H17ClN2O5 |
|---|---|
| Molecular Weight | 400.08 g/mol |
| LogP | 3.44608 |
| Topological Polar Surface Area | 97.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.0826 |
| Heavy Atoms | 28 |
| Complexity | 935.6025 |
Chemical Identifiers
| CAS Number | 340230-52-6 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)/C=C(/C#N)\C(=O)NC2=CC=CC=C2)Cl)OCC(=O)OC |
Product Overview
methyl {2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-6-methoxyphenoxy}acetate (CAS 340230-52-6), with molecular formula C20H17ClN2O5 and molecular weight 400.08 g/mol. IUPAC: methyl 2-[4-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-2-chloro-6-methoxyphenoxy]acetate.
Chemical Property Profile of methyl {2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-6-methoxyphenoxy}acetate
Property Insights of methyl {2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-6-methoxyphenoxy}acetate
The XLogP value of 3.44608 indicates that methyl {2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-6-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 {2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-6-methoxyphenoxy}acetate. Following Lipinski's Rule of Five, methyl {2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-6-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 {2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-6-methoxyphenoxy}acetate?
The CAS number of methyl {2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-6-methoxyphenoxy}acetate is 340230-52-6.
What is the molecular formula of methyl {2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-6-methoxyphenoxy}acetate?
The molecular formula of methyl {2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-6-methoxyphenoxy}acetate is C20H17ClN2O5.
What is the molecular weight of methyl {2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-6-methoxyphenoxy}acetate?
The molecular weight of methyl {2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-6-methoxyphenoxy}acetate is 400.08 g/mol.
Where can I buy methyl {2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-6-methoxyphenoxy}acetate?
You can request a quote for methyl {2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-6-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 {2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-6-methoxyphenoxy}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl {2-chloro-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-6-methoxyphenoxy}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.