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CAS 1158207-20-5 [(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amine dihydrochloride molecular structure lightbox
CAS RN: 1158207-20-5

[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amine dihydrochloride

  • Product code: SSC-015543
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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 1158207-20-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1158207-20-5 / (4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine;dihydrochloride

(4-methoxy-3,5-dimethylpyridin-2-yl)methanamine dihydrochloride | MFCD12026975 | [(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amine dihydrochloride

Standard CAS: 1158207-20-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1158207-20-5
Multi CAS
No
Molecular Formula
C9H16Cl2N2O
Molecular Weight
239.140000
Exact Mass
238.063969
SMILES
CC1=CN=C(C(=C1OC)C)CN.Cl.Cl
InChI
InChI=1S/C9H14N2O.2ClH/c1-6-5-11-8(4-10)7(2)9(6)12-3;;/h5H,4,10H2,1-3H3;2*1H
InChIKey
PRNORDXRWAXBNZ-UHFFFAOYSA-N
Synonyms
(4-methoxy-3,5-dimethylpyridin-2-yl)methanamine dihydrochloride MFCD12026975 [(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]amine dihydrochloride (4-METHOXY-3,5-DIMETHYLPYRIDIN-2-YL)METHANAMINE 2HCL (4-methoxy-3,5-dimethylpyridin-2-yl)methylamine dihydrochloride

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.65
TPSA
48.14

LogP / Solubility

WLOGP
2.01
MLOGP
1.77
XLogP3
2.01
Consensus LogP
1.93
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-2.75

Drug-likeness / Medicinal Chemistry

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

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