CAS RN: 69673-92-3
1-Propanone, 2-chloro-1-(4-methylphenyl)- (9CI)
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.20260306 | 100mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS69673-92-3
- Purity/Analytical Methods: >99.0%
69673-92-3 / (2R)-2-chloro-1-(4-methylphenyl)propan-1-one
Basic Information
CAS
69673-92-3
Multi CAS
Yes
Molecular Formula
C10H11CLO
Molecular Weight
182.640000
Exact Mass
182.049843
InChI
InChI=1S/C10H11ClO/c1-7-3-5-9(6-4-7)10(12)8(2)11/h3-6,8H,1-2H3
InChIKey
AVMPEHALQVCQQQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
50.82
TPSA
17.07
LogP / Solubility
WLOGP
2.81
MLOGP
2.47
XLogP3
3
Consensus LogP
2.76
Log S (ESOL)
-2.98
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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