![[2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate structure](/static/products/7857/785790-30-9.webp)
[2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate
TL;DR: [2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate (CAS 785790-30-9) is a chemical compound with molecular formula C14H15F2NO3S and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate
Also Known As: [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate|2-{4-[(Difluoromethyl)sulfanyl]anilino}-2-oxoethyl 3-methylbut-2-enoate|MLS000772595|SMR000377248
| Molecular Formula | C14H15F2NO3S |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 3.4492 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 315.07407 |
| Heavy Atoms | 21 |
| Complexity | 525.5256 |
Chemical Identifiers
| CAS Number | 785790-30-9 |
|---|---|
| SMILES | CC(=CC(=O)OCC(=O)NC1=CC=C(C=C1)SC(F)F)C |
Product Overview
[2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate (CAS 785790-30-9), with molecular formula C14H15F2NO3S and molecular weight 315.07 g/mol. IUPAC: [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate.
Chemical Property Profile of [2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate
Property Insights of [2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate
The XLogP value of 3.4492 indicates that [2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, [2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate has 1 hydrogen bond donor(s) and 4 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 [2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate?
The CAS number of [2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate is 785790-30-9.
What is the molecular formula of [2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate?
The molecular formula of [2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate is C14H15F2NO3S.
What is the molecular weight of [2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate?
The molecular weight of [2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate is 315.07 g/mol.
Where can I buy [2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate?
You can request a quote for [2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for [2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.