CAS RN: 64142-23-0
1-Butanone, 1-(4-hydroxy-3-methoxyphenyl)-
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.20250707 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS64142-23-0
- Purity/Analytical Methods: >99.0%
64142-23-0 / 1-(4-hydroxy-3-methoxyphenyl)butan-1-one
Basic Information
CAS
64142-23-0
Multi CAS
No
Molecular Formula
C11H14O3
Molecular Weight
194.230000
Exact Mass
194.094294
InChI
InChI=1S/C11H14O3/c1-3-4-9(12)8-5-6-10(13)11(7-8)14-2/h5-7,13H,3-4H2,1-2H3
InChIKey
ATFSJFVUBBVFDB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
53.9
TPSA
46.53
LogP / Solubility
WLOGP
2.38
MLOGP
2.1
XLogP3
1.3
Consensus LogP
1.93
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.38
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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
