![methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate structure](/static/products/7330/733043-94-2.webp)
methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate
TL;DR: methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate (CAS 733043-94-2) is a chemical compound with molecular formula C23H19N3O5S and molecular weight 449.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate
Also Known As: methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate, methyl 4-[(4-{2-cyano-2-[(1,3-thiazol-2-yl)carbamoyl]eth-1-en-1-yl}-2-methoxyphenoxy)methyl]benzoate, Methyl 4-[[4-[2-cyano-2-(1,3-thiazol-2-ylcarbamoyl)ethenyl]-2-methoxy-phenoxy]methyl]benzoate
| Molecular Formula | C23H19N3O5S |
|---|---|
| Molecular Weight | 449.10 g/mol |
| LogP | 4.06298 |
| Topological Polar Surface Area | 110.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 449.10455 |
| Heavy Atoms | 32 |
| Complexity | 1165.3425 |
Chemical Identifiers
| CAS Number | 733043-94-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=NC=CS2)OCC3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate (CAS 733043-94-2), with molecular formula C23H19N3O5S and molecular weight 449.10 g/mol. IUPAC: methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate.
Chemical Property Profile of methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate
Property Insights of methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate
The XLogP value of 4.06298 indicates that methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.54 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate. Following Lipinski's Rule of Five, methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate has 1 hydrogen bond donor(s) and 8 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-[[4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate?
The CAS number of methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate is 733043-94-2.
What is the molecular formula of methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate?
The molecular formula of methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate is C23H19N3O5S.
What is the molecular weight of methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate?
The molecular weight of methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate is 449.10 g/mol.
Where can I buy methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate?
You can request a quote for methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[[4-[(E)-2-cyano-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]-2-methoxyphenoxy]methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.