CAS RN: 23008-77-7
ethyl 3-(2-hydroxyphenyl)-3-oxopropanoate
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.20250109 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS23008-77-7
- Purity/Analytical Methods: >99.0%
23008-77-7 / ethyl 3-(2-hydroxyphenyl)-3-oxopropanoate
Basic Information
CAS
23008-77-7
Multi CAS
No
Molecular Formula
C11H12O4
Molecular Weight
208.210000
Exact Mass
208.073559
SMILES
CCOC(=O)CC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C11H12O4/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-6,12H,2,7H2,1H3
InChIKey
WCLHAVKCWQOVDT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.69
TPSA
63.6
LogP / Solubility
WLOGP
1.53
MLOGP
1.35
XLogP3
2.5
Consensus LogP
1.79
Log S (ESOL)
-2.13
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.37
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.91
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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