![methyl 4-[[2-[(E)-2-cyano-3-[4-(difluoromethylsulfanyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate structure](/static/products/7378/737818-60-9.webp)
methyl 4-[[2-[(E)-2-cyano-3-[4-(difluoromethylsulfanyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
TL;DR: methyl 4-[[2-[(E)-2-cyano-3-[4-(difluoromethylsulfanyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate (CAS 737818-60-9) is a chemical compound with molecular formula C26H20F2N2O4S and molecular weight 494.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(E)-2-cyano-3-[4-(difluoromethylsulfanyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
Also Known As: methyl 4-[[2-[(E)-2-cyano-3-[4-(difluoromethylsulfanyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate, methyl 4-({2-[2-cyano-2-({4-[(difluoromethyl)sulfanyl]phenyl}carbamoyl)eth-1-en-1-yl]phenoxy}methyl)benzoate
| Molecular Formula | C26H20F2N2O4S |
|---|---|
| Molecular Weight | 494.11 g/mol |
| LogP | 5.91258 |
| Topological Polar Surface Area | 88.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 494.11118 |
| Heavy Atoms | 35 |
| Complexity | 1253.5935 |
Chemical Identifiers
| CAS Number | 737818-60-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2/C=C(\C#N)/C(=O)NC3=CC=C(C=C3)SC(F)F |
Product Overview
methyl 4-[[2-[(E)-2-cyano-3-[4-(difluoromethylsulfanyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate (CAS 737818-60-9), with molecular formula C26H20F2N2O4S and molecular weight 494.11 g/mol. IUPAC: methyl 4-[[2-[(E)-2-cyano-3-[4-(difluoromethylsulfanyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate.
Chemical Property Profile of methyl 4-[[2-[(E)-2-cyano-3-[4-(difluoromethylsulfanyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
Property Insights of methyl 4-[[2-[(E)-2-cyano-3-[4-(difluoromethylsulfanyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate
The XLogP value of 5.91258 indicates that methyl 4-[[2-[(E)-2-cyano-3-[4-(difluoromethylsulfanyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.42 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[[2-[(E)-2-cyano-3-[4-(difluoromethylsulfanyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate. Following Lipinski's Rule of Five, methyl 4-[[2-[(E)-2-cyano-3-[4-(difluoromethylsulfanyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate 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 methyl 4-[[2-[(E)-2-cyano-3-[4-(difluoromethylsulfanyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate?
The CAS number of methyl 4-[[2-[(E)-2-cyano-3-[4-(difluoromethylsulfanyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate is 737818-60-9.
What is the molecular formula of methyl 4-[[2-[(E)-2-cyano-3-[4-(difluoromethylsulfanyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate?
The molecular formula of methyl 4-[[2-[(E)-2-cyano-3-[4-(difluoromethylsulfanyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate is C26H20F2N2O4S.
What is the molecular weight of methyl 4-[[2-[(E)-2-cyano-3-[4-(difluoromethylsulfanyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate?
The molecular weight of methyl 4-[[2-[(E)-2-cyano-3-[4-(difluoromethylsulfanyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate is 494.11 g/mol.
Where can I buy methyl 4-[[2-[(E)-2-cyano-3-[4-(difluoromethylsulfanyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate?
You can request a quote for methyl 4-[[2-[(E)-2-cyano-3-[4-(difluoromethylsulfanyl)anilino]-3-oxoprop-1-enyl]phenoxy]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-[[2-[(E)-2-cyano-3-[4-(difluoromethylsulfanyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[[2-[(E)-2-cyano-3-[4-(difluoromethylsulfanyl)anilino]-3-oxoprop-1-enyl]phenoxy]methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.