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CAS 485402-39-9 2-METHYL-4,5,6,7-TETRAHYDRO-3H-IMIDAZO[4,5-C]PYRIDINE DIHYDROCHLORIDE molecular structure lightbox
CAS RN: 485402-39-9

2-METHYL-4,5,6,7-TETRAHYDRO-3H-IMIDAZO[4,5-C]PYRIDINE DIHYDROCHLORIDE

  • Product code: SSC-155276
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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 485402-39-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

485402-39-9 / 2-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride

Standard CAS: 485402-39-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
485402-39-9
Multi CAS
No
Molecular Formula
C7H13CL2N3
Molecular Weight
210.100000
Exact Mass
209.048653
InChI
InChI=1S/C7H11N3.2ClH/c1-5-9-6-2-3-8-4-7(6)10-5;;/h8H,2-4H2,1H3,(H,9,10);2*1H
InChIKey
YXZHZOPFKSZUCI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.57
H-bond acceptors
2
H-bond donors
2
Molar refractivity
53.23
TPSA
40.71

LogP / Solubility

WLOGP
1.21
MLOGP
1.06
XLogP3
1.21
Consensus LogP
1.16
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-3.14

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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