CAS RN: 854234-49-4
3′-CHLOROBIPHENYL-3-YLAMINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250127 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS854234-49-4
- Purity/Analytical Methods: >99.0%
854234-49-4 / 3-(3-chlorophenyl)aniline;hydrochloride
Basic Information
CAS
854234-49-4
Multi CAS
No
Molecular Formula
C12H11CL2N
Molecular Weight
240.120000
Exact Mass
239.026855
InChI
InChI=1S/C12H10ClN.ClH/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;/h1-8H,14H2;1H
InChIKey
JEOZJBKHTNUXSQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.55
TPSA
26.02
LogP / Solubility
WLOGP
4.01
MLOGP
3.53
XLogP3
4.01
Consensus LogP
3.85
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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