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CAS 2089315-11-5 4-(3,3-difluoropyrrolidin-1-yl)piperidine 2HCl molecular structure lightbox
CAS RN: 2089315-11-5

4-(3,3-difluoropyrrolidin-1-yl)piperidine 2HCl

  • Product code: SSC-098270
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2089315-11-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 2 In Stock Beijing Inquiry
0.25g >97% 2 In Stock Beijing Inquiry
1g >97% 2 In Stock Shenzhen Inquiry

2089315-11-5 / 4-(3,3-difluoropyrrolidin-1-yl)piperidine;dihydrochloride

Standard CAS: 2089315-11-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2089315-11-5
Multi CAS
No
Molecular Formula
C9H18Cl2F2N2
Molecular Weight
263.150000
Exact Mass
262.081510
SMILES
C1CNCCC1N2CCC(C2)(F)F.Cl.Cl
InChI
InChI=1S/C9H16F2N2.2ClH/c10-9(11)3-6-13(7-9)8-1-4-12-5-2-8;;/h8,12H,1-7H2;2*1H
InChIKey
KAMWXMDDOJQUNV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.52
TPSA
15.27

LogP / Solubility

WLOGP
1.92
MLOGP
1.7
XLogP3
1.92
Consensus LogP
1.85
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.09
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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