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CAS 82205-57-0 3-Amino-6-(4-methylpiperazin-1-yl)pyridine triHydrochloride molecular structure lightbox
CAS RN: 82205-57-0

3-Amino-6-(4-methylpiperazin-1-yl)pyridine triHydrochloride

  • Product code: SSC-190421
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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: 0.5g, 2.5g
  • 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 82205-57-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.5g >95% 0 Out of Stock Shanghai Inquiry
2.5g >95% 0 Out of Stock Beijing Inquiry

82205-57-0 / 6-(4-methylpiperazin-1-yl)pyridin-3-amine;hydrochloride

Standard CAS: 82205-57-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82205-57-0
Multi CAS
Yes
Molecular Formula
C10H17CLN4
Molecular Weight
228.720000
Exact Mass
228.114174
InChI
InChI=1S/C10H16N4.ClH/c1-13-4-6-14(7-5-13)10-3-2-9(11)8-12-10;/h2-3,8H,4-7,11H2,1H3;1H
InChIKey
UHNLDLCXUNIOJX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.61
TPSA
45.39

LogP / Solubility

WLOGP
0.84
MLOGP
0.74
XLogP3
0.84
Consensus LogP
0.81
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
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)
-3.52

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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