CAS RN: 88765-77-9
3-(1H-1,3-benzodiazol-2-yl)propan-1-amine dihydrochloride
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250523 | 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS88765-77-9
- Purity/Analytical Methods: >99.0%
88765-77-9 / 3-(1H-benzimidazol-2-yl)propan-1-amine;dihydrochloride
Basic Information
CAS
88765-77-9
Multi CAS
No
Molecular Formula
C10H15CL2N3
Molecular Weight
248.150000
Exact Mass
247.064303
InChI
InChI=1S/C10H13N3.2ClH/c11-7-3-6-10-12-8-4-1-2-5-9(8)13-10;;/h1-2,4-5H,3,6-7,11H2,(H,12,13);2*1H
InChIKey
FKTASQBFLHXILH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
67.97
TPSA
54.7
LogP / Solubility
WLOGP
2.3
MLOGP
2.03
XLogP3
2.3
Consensus LogP
2.21
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6
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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