CAS RN: 779353-78-5
(1H-benzimidazol-5-ylmethyl)amine dihydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250317 | 50mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS779353-78-5
- Purity/Analytical Methods: >99.0%
779353-78-5 / 3H-benzimidazol-5-ylmethanamine;dihydrochloride
Basic Information
CAS
779353-78-5
Multi CAS
Yes
Molecular Formula
C8H11CL2N3
Molecular Weight
220.100000
Exact Mass
219.033003
InChI
InChI=1S/C8H9N3.2ClH/c9-4-6-1-2-7-8(3-6)11-5-10-7;;/h1-3,5H,4,9H2,(H,10,11);2*1H
InChIKey
QGCVTNMXYDMSSZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
58.48
TPSA
54.7
LogP / Solubility
WLOGP
1.87
MLOGP
1.64
XLogP3
1.87
Consensus LogP
1.79
Log S (ESOL)
-2.83
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74
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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