![CAS 92636-38-9 1-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/92636-38-9.gif)
CAS RN: 92636-38-9
1-[4-(TRIFLUOROMETHYL)PHENYL]-1H-PYRROLE
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.20250109 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS92636-38-9
- Purity/Analytical Methods: >99.0%
92636-38-9 / 1-[4-(trifluoromethyl)phenyl]pyrrole
Basic Information
CAS
92636-38-9
Multi CAS
Yes
Molecular Formula
C11F3H8N
Molecular Weight
211.180000
Exact Mass
211.060884
InChI
InChI=1S/C11H8F3N/c12-11(13,14)9-3-5-10(6-4-9)15-7-1-2-8-15/h1-8H
InChIKey
JFGOCJGHXODFKU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
50.77
TPSA
4.93
LogP / Solubility
WLOGP
3.5
MLOGP
3.08
XLogP3
4
Consensus LogP
3.53
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.05
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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