CAS RN: 480425-31-8
3-(5-(2-(TRIFLUOROMETHYL)PHENYL)-FURAN-&
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.20260201 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS480425-31-8
- Purity/Analytical Methods: >99.0%
480425-31-8 / 3-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoic acid
Basic Information
CAS
480425-31-8
Multi CAS
Yes
Molecular Formula
C14F3H9O3
Molecular Weight
282.210000
Exact Mass
282.050379
InChI
InChI=1S/C14H9F3O3/c15-14(16,17)11-4-2-1-3-10(11)12-7-5-9(20-12)6-8-13(18)19/h1-8H,(H,18,19)/b8-6+
InChIKey
WWHMEYXWUKCAKU-SOFGYWHQSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
65.82
TPSA
50.44
LogP / Solubility
WLOGP
4.06
MLOGP
3.59
XLogP3
3.5
Consensus LogP
3.72
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
