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CAS 81253-53-4 N-(2-Aminoethyl)-4-pyridinecarboxamide 2HCl molecular structure lightbox
CAS RN: 81253-53-4

N-(2-Aminoethyl)-4-pyridinecarboxamide 2HCl

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260130 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-189773
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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 81253-53-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

81253-53-4 / N-(2-aminoethyl)pyridine-4-carboxamide;dihydrochloride

Standard CAS: 81253-53-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81253-53-4
Multi CAS
No
Molecular Formula
C8H13CL2N3O
Molecular Weight
238.110000
Exact Mass
237.043567
InChI
InChI=1S/C8H11N3O.2ClH/c9-3-6-11-8(12)7-1-4-10-5-2-7;;/h1-2,4-5H,3,6,9H2,(H,11,12);2*1H
InChIKey
PXTBBSDHPDZYGD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
60.12
TPSA
68.01

LogP / Solubility

WLOGP
0.61
MLOGP
0.54
XLogP3
0.61
Consensus LogP
0.59
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.08
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)
-3.74

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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