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CAS 1780934-03-3 5-AMino-2-(Boc-aMinoMethyl)pyridine molecular structure lightbox
CAS RN: 1780934-03-3

5-AMino-2-(Boc-aMinoMethyl)pyridine

  • Product code: SSC-078248
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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: 0.1g, 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 1780934-03-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 0 Out of Stock Shanghai Inquiry
0.25g >95% 0 Out of Stock Beijing Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

1780934-03-3 / tert-butyl N-[(5-amino-2-pyridinyl)methyl]carbamate

Standard CAS: 1780934-03-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1780934-03-3
Multi CAS
No
Molecular Formula
C11H17N3O2
Molecular Weight
223.270000
Exact Mass
223.132077
SMILES
CC(C)(C)OC(=O)NCC1=NC=C(C=C1)N
InChI
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-7-9-5-4-8(12)6-13-9/h4-6H,7,12H2,1-3H3,(H,14,15)
InChIKey
SXOULXWJHXPVAX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
61.72
TPSA
77.24

LogP / Solubility

WLOGP
1.69
MLOGP
1.49
XLogP3
0.7
Consensus LogP
1.29
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.61
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.75
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)
-2.88

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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