CAS RN: 2503155-57-3
1H-Benzimidazole-2-methanamine, α-methyl-, hydrochloride (1:2), (αR)-
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.20260109 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2503155-57-3
- Purity/Analytical Methods: >99.0%
2503155-57-3 / (1R)-1-(1H-benzimidazol-2-yl)ethanamine;dihydrochloride
Basic Information
CAS
2503155-57-3
Multi CAS
No
Molecular Formula
C9H13Cl2N3
Molecular Weight
234.120000
Exact Mass
233.048653
SMILES
C[C@H](C1=NC2=CC=CC=C2N1)N.Cl.Cl
InChI
InChI=1S/C9H11N3.2ClH/c1-6(10)9-11-7-4-2-3-5-8(7)12-9;;/h2-6H,10H2,1H3,(H,11,12);2*1H/t6-;;/m1../s1
InChIKey
JVEWMMVTBRJLKK-QYCVXMPOSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
63.19
TPSA
54.7
LogP / Solubility
WLOGP
2.43
MLOGP
2.14
XLogP3
2.43
Consensus LogP
2.33
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
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)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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