![CAS 1159011-01-4 2-Methyl-4,5,6,7-tetrahydro-3H-iMidazo[4,5-c]pyridine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1159011-01-4.gif)
CAS RN: 1159011-01-4
2-Methyl-4,5,6,7-tetrahydro-3H-iMidazo[4,5-c]pyridine hydrochloride
- Product code: SSC-015705
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞95% | 0 Out of Stock | Shanghai | Inquiry |
1159011-01-4 / 2-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;hydrochloride
2-Methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine hydrochloride | MFCD06738532 | 3H-Imidazo[4,5-c]pyridine, 4,5,6,7-tetrahydro-2-methyl-, hydrochloride (1:1)
Basic Information
CAS
1159011-01-4
Multi CAS
No
Molecular Formula
C7H12ClN3
Molecular Weight
173.640000
Exact Mass
173.071975
SMILES
CC1=NC2=C(N1)CNCC2.Cl
InChI
InChI=1S/C7H11N3.ClH/c1-5-9-6-2-3-8-4-7(6)10-5;/h8H,2-4H2,1H3,(H,9,10);1H
InChIKey
HUEZPVTYDITOPK-UHFFFAOYSA-N
Synonyms
2-Methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine hydrochloride
MFCD06738532
3H-Imidazo[4,5-c]pyridine, 4,5,6,7-tetrahydro-2-methyl-, hydrochloride (1:1)
2-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;hydrochloride
2-METHYL-3H,4H,5H,6H,7H-IMIDAZO[4,5-C]PYRIDINE HYDROCHLORIDE
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.57
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.98
TPSA
40.71
LogP / Solubility
WLOGP
0.79
MLOGP
0.69
XLogP3
0.79
Consensus LogP
0.76
Log S (ESOL)
-1.75
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
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)
-3.22
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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