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CAS 5260-20-8 2,5-DIAZABICYCLO[2.2.1]HEPTANE, DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 5260-20-8

2,5-DIAZABICYCLO[2.2.1]HEPTANE, DIHYDROCHLORIDE

  • Product code: SSC-159713
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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 5260-20-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Beijing Inquiry
1g >97% 1 In Stock Shenzhen Inquiry

5260-20-8 / (1S,4S)-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride

Standard CAS: 5260-20-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5260-20-8
Multi CAS
Yes
Molecular Formula
C5H12CL2N2
Molecular Weight
171.070000
Exact Mass
170.037754
InChI
InChI=1S/C5H10N2.2ClH/c1-4-2-6-5(1)3-7-4;;/h4-7H,1-3H2;2*1H/t4-,5-;;/m0../s1
InChIKey
PIDOCGDMKRSJMT-RSLHMRQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.69
TPSA
24.06

LogP / Solubility

WLOGP
0.16
MLOGP
0.14
XLogP3
0.16
Consensus LogP
0.15
Log S (ESOL)
-1
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.91
Class (SILICOS-IT)
Very 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)
-3.65

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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