CAS RN: 1245649-51-7
1H-IMidazole-2-MethanaMine, -Methyl-5-phenyl-, hydrochloride (1:2), (S)-
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.20251204 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1245649-51-7
- Purity/Analytical Methods: >99.0%
1245649-51-7 / (1S)-1-(5-phenyl-1H-imidazol-2-yl)ethanamine;dihydrochloride
Basic Information
CAS
1245649-51-7
Multi CAS
No
Molecular Formula
C11H15Cl2N3
Molecular Weight
260.160000
Exact Mass
259.064303
SMILES
C[C@@H](C1=NC=C(N1)C2=CC=CC=C2)N.Cl.Cl
InChI
InChI=1S/C11H13N3.2ClH/c1-8(12)11-13-7-10(14-11)9-5-3-2-4-6-9;;/h2-8H,12H2,1H3,(H,13,14);2*1H/t8-;;/m0../s1
InChIKey
CGDFQKHWTYTMOS-JZGIKJSDSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
71.12
TPSA
54.7
LogP / Solubility
WLOGP
2.94
MLOGP
2.59
XLogP3
2.94
Consensus LogP
2.82
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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