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CAS 2007919-82-4 [(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanamine dihydrochloride molecular structure lightbox
CAS RN: 2007919-82-4

[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanamine dihydrochloride

  • Product code: SSC-094720
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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 2007919-82-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

2007919-82-4 / [(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanamine;dihydrochloride

Standard CAS: 2007919-82-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2007919-82-4
Multi CAS
No
Molecular Formula
C6H14Cl2F2N2
Molecular Weight
223.090000
Exact Mass
222.050210
SMILES
CN1CC(C[C@H]1CN)(F)F.Cl.Cl
InChI
InChI=1S/C6H12F2N2.2ClH/c1-10-4-6(7,8)2-5(10)3-9;;/h5H,2-4,9H2,1H3;2*1H/t5-;;/m0../s1
InChIKey
GXGDFJUOKYNOLO-XRIGFGBMSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.53
TPSA
29.26

LogP / Solubility

WLOGP
1.13
MLOGP
1
XLogP3
1.13
Consensus LogP
1.09
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-3.28

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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