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CAS 51746-81-7 2-AMINO-1-PYRIDIN-2-YL-ETHANONE DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 51746-81-7

2-AMINO-1-PYRIDIN-2-YL-ETHANONE DIHYDROCHLORIDE

  • Product code: SSC-158681
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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 51746-81-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

51746-81-7 / 2-amino-1-pyridin-2-ylethanone;dihydrochloride

Standard CAS: 51746-81-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
51746-81-7
Multi CAS
No
Molecular Formula
C7H10CL2N2O
Molecular Weight
209.070000
Exact Mass
208.017018
InChI
InChI=1S/C7H8N2O.2ClH/c8-5-7(10)6-3-1-2-4-9-6;;/h1-4H,5,8H2;2*1H
InChIKey
XDMZXKYLIWGXSA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.12
TPSA
55.98

LogP / Solubility

WLOGP
1.07
MLOGP
0.94
XLogP3
1.07
Consensus LogP
1.03
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
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)
-3.24

Drug-likeness / Medicinal Chemistry

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

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