CAS RN: 68755-41-9
6-TRIFLUOROMETHYL-INDAN-1-YLAMINE HCL
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: starshine_CAS68755-41-9
- Purity/Analytical Methods: >99.0%
68755-41-9 / 6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride
Basic Information
CAS
68755-41-9
Multi CAS
Yes
Molecular Formula
C10H11CLF3N
Molecular Weight
237.650000
Exact Mass
237.053212
InChI
InChI=1S/C10H10F3N.ClH/c11-10(12,13)7-3-1-6-2-4-9(14)8(6)5-7;/h1,3,5,9H,2,4,14H2;1H
InChIKey
SAGAPGFAJWBAEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
53.94
TPSA
26.02
LogP / Solubility
WLOGP
3.07
MLOGP
2.71
XLogP3
3.07
Consensus LogP
2.95
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.73
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.76
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)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
1H-INDEN-1-AMINE, 2,3-DIHYDRO-4-(TRIFLUOROMETHYL)
- CAS RN: 68755-43-1
- Product Code: SSC-178440
-
3-dihydro-1H-inden-1-aMine hydrochloride
- CAS RN: 68755-44-2
- Product Code: starshine_CAS68755-44-2
- Purity/Analytical method: >99.0%
-
-
METHYL (2S)-2-AMINO-3-(4-CHLOROPHENYL)PROPANOATE
- CAS RN: 68759-85-3
- Product Code: SSC-178444
-
Phosphonium, (6-hydroxyhexyl)triphenyl-, bromide
- CAS RN: 68760-65-6
- Product Code: SSC-178446
