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CAS RN: 1391407-62-7
(R)-2-(4-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE HYDROCHLORIDE
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260129 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1391407-62-7
- Purity/Analytical Methods: >99.0%
1391407-62-7 / (2R)-2-[4-(trifluoromethyl)phenyl]pyrrolidine;hydrochloride
Basic Information
CAS
1391407-62-7
Multi CAS
No
Molecular Formula
C11H13ClF3N
Molecular Weight
251.670000
Exact Mass
251.068862
SMILES
C1C[C@@H](NC1)C2=CC=C(C=C2)C(F)(F)F.Cl
InChI
InChI=1S/C11H12F3N.ClH/c12-11(13,14)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
XHVVDNXOJJAMDE-HNCPQSOCSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
58.67
TPSA
12.03
LogP / Solubility
WLOGP
3.55
MLOGP
3.13
XLogP3
3.55
Consensus LogP
3.41
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.19
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
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)
-1.73
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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