CAS RN: 4010-33-7
O-ACETYLPHENYL BENZOATE
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.20250806 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS4010-33-7
- Purity/Analytical Methods: >99.0%
4010-33-7 / (2-acetylphenyl) benzoate
Basic Information
CAS
4010-33-7
Multi CAS
Yes
Molecular Formula
C15H12O3
Molecular Weight
240.250000
Exact Mass
240.078644
InChI
InChI=1S/C15H12O3/c1-11(16)13-9-5-6-10-14(13)18-15(17)12-7-3-2-4-8-12/h2-10H,1H3
InChIKey
UEVPPUDQJRWOLT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
67.85
TPSA
43.37
LogP / Solubility
WLOGP
3.11
MLOGP
2.74
XLogP3
2.6
Consensus LogP
2.82
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.77
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.16
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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