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CAS 1112850-40-4 (5,6-DiMethoxypyridin-2-yl)MethanaMine molecular structure lightbox
CAS RN: 1112850-40-4

(5,6-DiMethoxypyridin-2-yl)MethanaMine

  • Product code: SSC-012091
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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: 5g
  • 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 1112850-40-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1112850-40-4 / (5,6-dimethoxy-2-pyridinyl)methanamine

(5,6-Dimethoxypyridin-2-yl)methanamine | MFCD18259774 | (5,6-dimethoxy-2-pyridyl)methanamine

Standard CAS: 1112850-40-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1112850-40-4
Multi CAS
Yes
Molecular Formula
C8H12N2O2
Molecular Weight
168.190000
Exact Mass
168.089878
SMILES
COC1=C(N=C(C=C1)CN)OC
InChI
InChI=1S/C8H12N2O2/c1-11-7-4-3-6(5-9)10-8(7)12-2/h3-4H,5,9H2,1-2H3
InChIKey
NTAVZWOOCDEXMK-UHFFFAOYSA-N
Synonyms
(5,6-Dimethoxypyridin-2-yl)methanamine MFCD18259774 (5,6-dimethoxy-2-pyridyl)methanamine 1-(5,6-dimethoxypyridin-2-yl)methanamine 2,3-dimethoxy-6-aminomethylpyridine

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.23
TPSA
57.37

LogP / Solubility

WLOGP
0.56
MLOGP
0.49
Consensus LogP
0.35
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
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)
-3.35

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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