![CAS 1391490-20-2 [4-((2R)PYRROLIDIN-2-YL)PHENOXY]TRIFLUOROMETHANE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391490-20-2.gif)
CAS RN: 1391490-20-2
[4-((2R)PYRROLIDIN-2-YL)PHENOXY]TRIFLUOROMETHANE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260327 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1391490-20-2
- Purity/Analytical Methods: >99.0%
1391490-20-2 / (2R)-2-[4-(trifluoromethoxy)phenyl]pyrrolidine;hydrochloride
Basic Information
CAS
1391490-20-2
Multi CAS
No
Molecular Formula
C11H13ClF3NO
Molecular Weight
267.670000
Exact Mass
267.063776
SMILES
C1C[C@@H](NC1)C2=CC=C(C=C2)OC(F)(F)F.Cl
InChI
InChI=1S/C11H12F3NO.ClH/c12-11(13,14)16-9-5-3-8(4-6-9)10-2-1-7-15-10;/h3-6,10,15H,1-2,7H2;1H/t10-;/m1./s1
InChIKey
CQVGKBSZXQYCTD-HNCPQSOCSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
60.35
TPSA
21.26
LogP / Solubility
WLOGP
3.43
MLOGP
3.03
XLogP3
3.43
Consensus LogP
3.3
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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![CAS 1391492-95-7 (2S)-2-AMINO-2-[4-(TRIFLUOROMETHOXY)PHENYL]ETHAN-1-OL HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1391492-95-7.gif)
