CAS RN: 1228558-85-7
(2S)-2-(4-CHLORO-2-FLUOROPHENYL)PYRROLIDINE
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.20250514 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1228558-85-7
- Purity/Analytical Methods: >99.0%
1228558-85-7 / (2S)-2-(4-chloro-2-fluorophenyl)pyrrolidine
Basic Information
CAS
1228558-85-7
Multi CAS
No
Molecular Formula
C10H11ClFN
Molecular Weight
199.650000
Exact Mass
199.056405
SMILES
C1C[C@H](NC1)C2=C(C=C(C=C2)Cl)F
InChI
InChI=1S/C10H11ClFN/c11-7-3-4-8(9(12)6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2/t10-/m0/s1
InChIKey
WDQHMIUEXFTEDD-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.39
TPSA
12.03
LogP / Solubility
WLOGP
2.9
MLOGP
2.56
XLogP3
2.5
Consensus LogP
2.65
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
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)
-1.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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