(Z)-methyl 3-(benzylthio)-3-(p-tolylamino)-2-(trifluoromethyl)acrylate
TL;DR: (Z)-methyl 3-(benzylthio)-3-(p-tolylamino)-2-(trifluoromethyl)acrylate (CAS 493030-16-3) is a chemical compound with molecular formula C19H18F3NO2S and molecular weight 381.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-3-benzylsulfanyl-3-(4-methylanilino)-2-(trifluoromethyl)prop-2-enoate
Also Known As: (Z)-methyl 3-(benzylthio)-3-(p-tolylamino)-2-(trifluoromethyl)acrylate, methyl (2Z)-3-(benzylsulfanyl)-3-[(4-methylphenyl)amino]-2-(trifluoromethyl)prop-2-enoate, methyl (Z)-3-benzylsulfanyl-3-(4-methylanilino)-2-(trifluoromethyl)prop-2-enoate
| Molecular Formula | C19H18F3NO2S |
|---|---|
| Molecular Weight | 381.10 g/mol |
| LogP | 5.28722 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.10104 |
| Heavy Atoms | 26 |
| Complexity | 771.6213 |
Chemical Identifiers
| CAS Number | 493030-16-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N/C(=C(\C(=O)OC)/C(F)(F)F)/SCC2=CC=CC=C2 |
Product Overview
(Z)-methyl 3-(benzylthio)-3-(p-tolylamino)-2-(trifluoromethyl)acrylate (CAS 493030-16-3), with molecular formula C19H18F3NO2S and molecular weight 381.10 g/mol. IUPAC: methyl (Z)-3-benzylsulfanyl-3-(4-methylanilino)-2-(trifluoromethyl)prop-2-enoate.
Chemical Property Profile of (Z)-methyl 3-(benzylthio)-3-(p-tolylamino)-2-(trifluoromethyl)acrylate
Property Insights of (Z)-methyl 3-(benzylthio)-3-(p-tolylamino)-2-(trifluoromethyl)acrylate
The XLogP value of 5.28722 indicates that (Z)-methyl 3-(benzylthio)-3-(p-tolylamino)-2-(trifluoromethyl)acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, (Z)-methyl 3-(benzylthio)-3-(p-tolylamino)-2-(trifluoromethyl)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-methyl 3-(benzylthio)-3-(p-tolylamino)-2-(trifluoromethyl)acrylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-methyl 3-(benzylthio)-3-(p-tolylamino)-2-(trifluoromethyl)acrylate?
The CAS number of (Z)-methyl 3-(benzylthio)-3-(p-tolylamino)-2-(trifluoromethyl)acrylate is 493030-16-3.
What is the molecular formula of (Z)-methyl 3-(benzylthio)-3-(p-tolylamino)-2-(trifluoromethyl)acrylate?
The molecular formula of (Z)-methyl 3-(benzylthio)-3-(p-tolylamino)-2-(trifluoromethyl)acrylate is C19H18F3NO2S.
What is the molecular weight of (Z)-methyl 3-(benzylthio)-3-(p-tolylamino)-2-(trifluoromethyl)acrylate?
The molecular weight of (Z)-methyl 3-(benzylthio)-3-(p-tolylamino)-2-(trifluoromethyl)acrylate is 381.10 g/mol.
Where can I buy (Z)-methyl 3-(benzylthio)-3-(p-tolylamino)-2-(trifluoromethyl)acrylate?
You can request a quote for (Z)-methyl 3-(benzylthio)-3-(p-tolylamino)-2-(trifluoromethyl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 3-(benzylthio)-3-(p-tolylamino)-2-(trifluoromethyl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 3-(benzylthio)-3-(p-tolylamino)-2-(trifluoromethyl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.