CAS RN: 1391408-54-0
(R)-2-(2-Fluoro-5-(trifluoromethyl)phenyl)pyrrolidine hydrochloride
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.20250803 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1391408-54-0
- Purity/Analytical Methods: >99.0%
1391408-54-0 / (2R)-2-[2-fluoro-5-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
Basic Information
CAS
1391408-54-0
Multi CAS
No
Molecular Formula
C11H12ClF4N
Molecular Weight
269.660000
Exact Mass
269.059440
SMILES
C1C[C@@H](NC1)C2=C(C=CC(=C2)C(F)(F)F)F.Cl
InChI
InChI=1S/C11H11F4N.ClH/c12-9-4-3-7(11(13,14)15)6-8(9)10-2-1-5-16-10;/h3-4,6,10,16H,1-2,5H2;1H/t10-;/m1./s1
InChIKey
WGYMMHPMADAZKR-HNCPQSOCSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.63
TPSA
12.03
LogP / Solubility
WLOGP
3.69
MLOGP
3.26
XLogP3
3.69
Consensus LogP
3.55
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.6
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)
-1.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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