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CAS 1217664-59-9 (2S)-2-(3,5-DIFLUOROPHENYL)PYRROLIDINE molecular structure lightbox
CAS RN: 1217664-59-9

(2S)-2-(3,5-DIFLUOROPHENYL)PYRROLIDINE

Product Availability

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4 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260629 100mg In stock Shanghai Inquiry
Batchno.20250906 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250629 1g Out of stock Inquiry
Batchno.20260322 250mg In stock Shanghai Inquiry
  • Product code: SSC-024470
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1217664-59-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1217664-59-9 / (2S)-2-(3,5-difluorophenyl)pyrrolidine

Standard CAS: 1217664-59-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1217664-59-9
Multi CAS
No
Molecular Formula
C10H11F2N
Molecular Weight
183.200000
Exact Mass
183.085956
SMILES
C1C[C@H](NC1)C2=CC(=CC(=C2)F)F
InChI
InChI=1S/C10H11F2N/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h4-6,10,13H,1-3H2/t10-/m0/s1
InChIKey
INAOTHVFVJELEL-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
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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