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CAS 1864059-39-1 5-AMino-2-[2-(Boc-aMino)ethyl]pyridine Dihydrochloride molecular structure lightbox
CAS RN: 1864059-39-1

5-AMino-2-[2-(Boc-aMino)ethyl]pyridine Dihydrochloride

  • Product code: SSC-086491
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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, 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 1864059-39-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1864059-39-1 / tert-butyl N-[2-(5-amino-2-pyridinyl)ethyl]carbamate;dihydrochloride

Standard CAS: 1864059-39-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1864059-39-1
Multi CAS
No
Molecular Formula
C12H21Cl2N3O2
Molecular Weight
310.220000
Exact Mass
309.101082
SMILES
CC(C)(C)OC(=O)NCCC1=NC=C(C=C1)N.Cl.Cl
InChI
InChI=1S/C12H19N3O2.2ClH/c1-12(2,3)17-11(16)14-7-6-10-5-4-9(13)8-15-10;;/h4-5,8H,6-7,13H2,1-3H3,(H,14,16);2*1H
InChIKey
NZFBBAMFHBQBIH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
81.09
TPSA
77.24

LogP / Solubility

WLOGP
2.57
MLOGP
2.28
XLogP3
2.57
Consensus LogP
2.47
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.96
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78

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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