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CAS 6456-44-6 1-METHYL-NICOTINAMIDE IODIDE molecular structure lightbox
CAS RN: 6456-44-6

1-METHYL-NICOTINAMIDE IODIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250421 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-174293
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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: ＞97%
  • 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 6456-44-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

6456-44-6 / 1-methylpyridin-1-ium-3-carboxamide iodide

Standard CAS: 6456-44-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6456-44-6
Multi CAS
Yes
Molecular Formula
C7H9In2O
Molecular Weight
264.060000
Exact Mass
263.975960
InChI
InChI=1S/C7H8N2O.HI/c1-9-4-2-3-6(5-9)7(8)10;/h2-5H,1H3,(H-,8,10);1H
InChIKey
IWEIZMCTGMHCRE-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
1
H-bond donors
1
Molar refractivity
36.14
TPSA
46.97

LogP / Solubility

WLOGP
-3.39
MLOGP
-2.97
XLogP3
-3.39
Consensus LogP
-3.25
Log S (ESOL)
0.32
Class (ESOL)
Highly soluble
Log S (Ali)
0.72
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.31
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)
-6.73

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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