CAS RN: 65143-37-5
2-(4-Methylphenyl)-2-oxoethyl acetate
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
| Batchno.20250517 |
1g |
Out of stock |
15 business days | Inquiry |
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Product code:
starshine_CAS65143-37-5
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Purity/Analytical Methods:
>99.0%
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65143-37-5 / [2-(4-methylphenyl)-2-oxoethyl] acetate
Standard CAS: 65143-37-5
Multi CAS: No
Basic Information
CAS
65143-37-5
Multi CAS
No
Molecular Formula
C11H12O3
Molecular Weight
192.210000
Exact Mass
192.078644
InChI
InChI=1S/C11H12O3/c1-8-3-5-10(6-4-8)11(13)7-14-9(2)12/h3-6H,7H2,1-2H3
InChIKey
GMGKFZCRKFZPMC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
52.14
TPSA
43.37
LogP / Solubility
WLOGP
1.74
MLOGP
1.53
XLogP3
1.9
Consensus LogP
1.72
Log S (ESOL)
-2.25
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.71
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)
-2.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5