![CAS 87087-35-2 2-Propenoic acid, 3-[3-(trifluoroMethyl)phenyl]-, Methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/87087-35-2.gif)
CAS RN: 87087-35-2
2-Propenoic acid, 3-[3-(trifluoroMethyl)phenyl]-, Methyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250520 | 100mg / 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS87087-35-2
- Purity/Analytical Methods: >99.0%
87087-35-2 / methyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
Basic Information
CAS
87087-35-2
Multi CAS
Yes
Molecular Formula
C11F3H9O2
Molecular Weight
230.180000
Exact Mass
230.055464
InChI
InChI=1S/C11H9F3O2/c1-16-10(15)6-5-8-3-2-4-9(7-8)11(12,13)14/h2-7H,1H3/b6-5+
InChIKey
ZQAIZQSBGPNEEN-AATRIKPKSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
52.49
TPSA
26.3
LogP / Solubility
WLOGP
2.89
MLOGP
2.55
XLogP3
3.5
Consensus LogP
2.98
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 87099-71-6 Cyclohexanecarboxylic acid, 1,3,4-trihydroxy-5-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-, (1R,3R,4S,5R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/87099-71-6.gif)
