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CAS 70449-22-8 3-(AMinoMethyl)-1-Methyl-2(1H)-pyridinone molecular structure lightbox
CAS RN: 70449-22-8

3-(AMinoMethyl)-1-Methyl-2(1H)-pyridinone

  • Product code: SSC-180229
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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 70449-22-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

70449-22-8 / 3-(aminomethyl)-1-methylpyridin-2-one

Standard CAS: 70449-22-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70449-22-8
Multi CAS
No
Molecular Formula
C7H10N2O
Molecular Weight
138.170000
Exact Mass
138.079313
InChI
InChI=1S/C7H10N2O/c1-9-4-2-3-6(5-8)7(9)10/h2-4H,5,8H2,1H3
InChIKey
JDEADTYIKGFNGQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.57
TPSA
48.02

LogP / Solubility

WLOGP
-0.16
MLOGP
-0.14
XLogP3
-0.2
Consensus LogP
-0.17
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-0.58
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.55
Class (SILICOS-IT)
Very 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)
-3.67

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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