CAS RN: 166096-16-8
(4-CHLORO-PHENYL)-(1H-IMIDAZOL-2-YLMETHYL)-AMINE
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.20250601 | 100mg / 250mg / 1g / 10g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS166096-16-8
- Purity/Analytical Methods: >99.0%
166096-16-8 / 4-chloro-N-(1H-imidazol-2-ylmethyl)aniline
Basic Information
CAS
166096-16-8
Multi CAS
No
Molecular Formula
C10H10ClN3
Molecular Weight
207.660000
Exact Mass
207.056325
SMILES
C1=CC(=CC=C1NCC2=NC=CN2)Cl
InChI
InChI=1S/C10H10ClN3/c11-8-1-3-9(4-2-8)14-7-10-12-5-6-13-10/h1-6,14H,7H2,(H,12,13)
InChIKey
SIFYJEQOTXUWFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.37
TPSA
40.71
LogP / Solubility
WLOGP
2.68
MLOGP
2.36
XLogP3
2.2
Consensus LogP
2.41
Log S (ESOL)
-3.2
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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)
-2.09
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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