CAS RN: 940-04-5
1-(4-Hydroxy-3-methylphenyl)-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.20250721 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS940-04-5
- Purity/Analytical Methods: >99.0%
940-04-5 / 1-(4-hydroxy-3-methylphenyl)propan-1-one
Basic Information
CAS
940-04-5
Multi CAS
Yes
Molecular Formula
C10H12O2
Molecular Weight
164.200000
Exact Mass
164.083730
InChI
InChI=1S/C10H12O2/c1-3-9(11)8-4-5-10(12)7(2)6-8/h4-6,12H,3H2,1-2H3
InChIKey
ADTNKEULTSFHKS-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
2
H-bond donors
1
Molar refractivity
47.47
TPSA
37.3
LogP / Solubility
WLOGP
2.29
MLOGP
2.01
XLogP3
1.5
Consensus LogP
1.93
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
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)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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