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CAS 94-63-3 PYRIDINE-2-CARBOXALDOXIME METHIODIDE molecular structure lightbox
CAS RN: 94-63-3

PYRIDINE-2-CARBOXALDOXIME METHIODIDE

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251227 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shandong, Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250926 5mg / 25mg / 100mg / 500mg Confirm by inquiry Shandong, Shanghai Inquiry
  • Product code: starshine_CAS94-63-3
  • Purity/Analytical Methods: >99.0%
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94-63-3 / N-[(1-methylpyridin-1-ium-2-yl)methylidene]hydroxylamine iodide

Standard CAS: 94-63-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
94-63-3
Multi CAS
Yes
Molecular Formula
C7H9In2O
Molecular Weight
264.060000
Exact Mass
263.975960
InChI
InChI=1S/C7H8N2O.HI/c1-9-5-3-2-4-7(9)6-8-10;/h2-6H,1H3;1H
InChIKey
QNBVYCDYFJUNLO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37
TPSA
36.47

LogP / Solubility

WLOGP
-2.68
MLOGP
-2.35
XLogP3
-2.68
Consensus LogP
-2.57
Log S (ESOL)
-0.13
Class (ESOL)
Very soluble
Log S (Ali)
0.21
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.73
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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