CAS RN: 152943-33-4
1-(3-Chlorophenyl)-2-hydroxy-1-propanone
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.20250206 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS152943-33-4
- Purity/Analytical Methods: >99.0%
152943-33-4 / 1-(3-chlorophenyl)-2-hydroxypropan-1-one
Basic Information
CAS
152943-33-4
Multi CAS
No
Molecular Formula
C9H9ClO2
Molecular Weight
184.620000
Exact Mass
184.029107
SMILES
CC(C(=O)C1=CC(=CC=C1)Cl)O
InChI
InChI=1S/C9H9ClO2/c1-6(11)9(12)7-3-2-4-8(10)5-7/h2-6,11H,1H3
InChIKey
PRVHLTNNKRCHGO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.46
TPSA
37.3
LogP / Solubility
WLOGP
1.9
MLOGP
1.67
XLogP3
2.3
Consensus LogP
1.96
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.68
Class (SILICOS-IT)
Moderately 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)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P317, P330, and P501
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