CAS RN: 90869-66-2
2-Chloromethcathinone (hydrochloride)
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.20260213 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS90869-66-2
- Purity/Analytical Methods: >99.0%
90869-66-2 / 1-(2-chlorophenyl)-2-(methylamino)propan-1-one;hydrochloride
Basic Information
CAS
90869-66-2
Multi CAS
No
Molecular Formula
C10H13CL2NO
Molecular Weight
234.120000
Exact Mass
233.037419
InChI
InChI=1S/C10H12ClNO.ClH/c1-7(12-2)10(13)8-5-3-4-6-9(8)11;/h3-7,12H,1-2H3;1H
InChIKey
RMOPJSWYMQGLJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
61.55
TPSA
29.1
LogP / Solubility
WLOGP
2.55
MLOGP
2.25
XLogP3
2.55
Consensus LogP
2.45
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
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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