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CAS 1228569-91-2 (2R)-2-(2,4-DIFLUOROPHENYL)PYRROLIDINE molecular structure lightbox
CAS RN: 1228569-91-2

(2R)-2-(2,4-DIFLUOROPHENYL)PYRROLIDINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251216 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1228569-91-2
  • Purity/Analytical Methods: >99.0%
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1228569-91-2 / (2R)-2-(2,4-difluorophenyl)pyrrolidine

Standard CAS: 1228569-91-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1228569-91-2
Multi CAS
No
Molecular Formula
C10H11F2N
Molecular Weight
183.200000
Exact Mass
183.085956
SMILES
C1C[C@@H](NC1)C2=C(C=C(C=C2)F)F
InChI
InChI=1S/C10H11F2N/c11-7-3-4-8(9(12)6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2/t10-/m1/s1
InChIKey
ALDQGGCTXDBBBO-SNVBAGLBSA-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
46.34
TPSA
12.03

LogP / Solubility

WLOGP
2.39
MLOGP
2.1
XLogP3
2
Consensus LogP
2.16
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately 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)
-2.14

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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