CAS RN: 959236-00-1
7-(TrifluoroMethyl)indoline
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.20251012 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS959236-00-1
- Purity/Analytical Methods: >99.0%
959236-00-1 / 7-(trifluoromethyl)-2,3-dihydro-1H-indole
Basic Information
CAS
959236-00-1
Multi CAS
No
Molecular Formula
C9F3H8N
Molecular Weight
187.160000
Exact Mass
187.060884
InChI
InChI=1S/C9H8F3N/c10-9(11,12)7-3-1-2-6-4-5-13-8(6)7/h1-3,13H,4-5H2
InChIKey
APXZRTOUTPSFLL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
1
H-bond donors
1
Molar refractivity
43.64
TPSA
12.03
LogP / Solubility
WLOGP
2.67
MLOGP
2.35
XLogP3
2.8
Consensus LogP
2.61
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
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)
-1.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
1,3-Piperidinedicarboxylic acid, 3-(2-propen-1-yl)-, 1-(1,1-dimethylethyl) ester
- CAS RN: 959236-11-4
- Product Code: SSC-211607
-
4-(trifluoromethyl)-1H-indole-3-carbaldehyde
- CAS RN: 959236-12-5
- Product Code: SSC-211608
-
-
5-(Trifluoromethyl)-1H-indazole-3-carboxylic acid
- CAS RN: 959236-67-0
- Product Code: SSC-211610
-
7-(trifluoromethyl)-1H-indazole-3-carboxylic acid
- CAS RN: 959236-70-5
- Product Code: SSC-211611
-
