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CAS 53397-80-1 2-Pyridinecarboxylicacid,5-(aminomethyl)-(9CI) molecular structure lightbox
CAS RN: 53397-80-1

2-Pyridinecarboxylicacid,5-(aminomethyl)-(9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251208 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-160725
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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 53397-80-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

53397-80-1 / 5-(aminomethyl)pyridine-2-carboxylic acid

Standard CAS: 53397-80-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
53397-80-1
Multi CAS
No
Molecular Formula
C7H8N2O2
Molecular Weight
152.150000
Exact Mass
152.058578
InChI
InChI=1S/C7H8N2O2/c8-3-5-1-2-6(7(10)11)9-4-5/h1-2,4H,3,8H2,(H,10,11)
InChIKey
VGLKYVZUHILZIE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
39.09
TPSA
76.21

LogP / Solubility

WLOGP
0.24
MLOGP
0.2
XLogP3
-2.7
Consensus LogP
-0.75
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.09
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)
-3.48

Drug-likeness / Medicinal Chemistry

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

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