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CAS 1951425-16-3 (S)-4,4-Difluoro-2-(Fluoromethyl)Pyrrolidine Hydrochloride(WX601522) molecular structure lightbox
CAS RN: 1951425-16-3

(S)-4,4-Difluoro-2-(Fluoromethyl)Pyrrolidine Hydrochloride(WX601522)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250829 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-092023
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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: 0.25g
  • 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 1951425-16-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1951425-16-3 / (2S)-4,4-difluoro-2-(fluoromethyl)pyrrolidine;hydrochloride

Standard CAS: 1951425-16-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1951425-16-3
Multi CAS
No
Molecular Formula
C5H9ClF3N
Molecular Weight
175.580000
Exact Mass
175.037562
SMILES
C1[C@H](NCC1(F)F)CF.Cl
InChI
InChI=1S/C5H8F3N.ClH/c6-2-4-1-5(7,8)3-9-4;/h4,9H,1-3H2;1H/t4-;/m0./s1
InChIKey
KDEBIGUTHLUDOJ-WCCKRBBISA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
34.58
TPSA
12.03

LogP / Solubility

WLOGP
1.37
MLOGP
1.21
XLogP3
1.37
Consensus LogP
1.32
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.06
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)
-2.81

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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