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CAS 485402-35-5 1-Methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine dihydrochloride molecular structure lightbox
CAS RN: 485402-35-5

1-Methyl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine dihydrochloride

  • Product code: SSC-155275
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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 485402-35-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

485402-35-5 / 1-methyl-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine;dihydrochloride

Standard CAS: 485402-35-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
485402-35-5
Multi CAS
Yes
Molecular Formula
C7H13CL2N3
Molecular Weight
210.100000
Exact Mass
209.048653
InChI
InChI=1S/C7H11N3.2ClH/c1-10-5-9-6-4-8-3-2-7(6)10;;/h5,8H,2-4H2,1H3;2*1H
InChIKey
ZKVLOJXPCWMCBV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.57
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.11
TPSA
29.85

LogP / Solubility

WLOGP
0.91
MLOGP
0.8
XLogP3
0.91
Consensus LogP
0.87
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-3.36

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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