CAS RN: 175168-77-1
trans-2-(2-(trifluoromethyl)phenyl)cyclopropanamine HCl
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock1 grade group
- Product code: starshine_CAS175168-77-1
- Purity/Analytical Methods: >99.0%
175168-77-1 / trans-(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropan-1-amine;hydrochloride
Basic Information
CAS
175168-77-1
Multi CAS
No
Molecular Formula
C10H11ClF3N
Molecular Weight
237.650000
Exact Mass
237.053212
SMILES
C1[C@H]([C@@H]1N)C2=CC=CC=C2C(F)(F)F.Cl
InChI
InChI=1S/C10H10F3N.ClH/c11-10(12,13)8-4-2-1-3-6(8)7-5-9(7)14;/h1-4,7,9H,5,14H2;1H/t7-,9+;/m0./s1
InChIKey
CXCTXCXCIYKANU-DKXTVVGFSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.03
TPSA
26.02
LogP / Solubility
WLOGP
2.94
MLOGP
2.59
XLogP3
2.94
Consensus LogP
2.82
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.77
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)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
![CAS 175201-63-5 1-[2-(4-CHLOROPHENYL)-7-METHYLPYRAZOLO[1,5-A]PYRIMIDIN-6-YL]ETHAN-1-ONE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1-[2-(4-CHLOROPHENYL)-7-METHYLPYRAZOLO[1,5-A]PYRIMIDIN-6-YL]ETHAN-1-ONE
- CAS RN: 175201-63-5
- Product Code: SSC-076829
-
4-CHLORO-1,3-DIMETHYLPYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLIC ACID
- CAS RN: 175201-94-2
- Product Code: SSC-076830
-
2-METHYL-5-(PROPYLSULFONYL)PYRIMIDIN-4-AMINE
- CAS RN: 175202-09-2
- Product Code: SSC-076831
-
-
6,6-DIMETHYL-3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBONITRILE
- CAS RN: 175202-50-3
- Product Code: SSC-076833
-
![CAS 175201-63-5 1-[2-(4-CHLOROPHENYL)-7-METHYLPYRAZOLO[1,5-A]PYRIMIDIN-6-YL]ETHAN-1-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/175201-63-5.gif)
![CAS 175201-94-2 4-CHLORO-1,3-DIMETHYLPYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/175201-94-2.gif)
![CAS 175202-50-3 6,6-DIMETHYL-3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[C]THIOPHENE-1-CARBONITRILE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/175202-50-3.gif)
