CAS RN: 7099-89-0
2-(4-Ethylphenyl)-2-oxoacetic acid
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.20250417 | 100mg / 250mg / 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS7099-89-0
- Purity/Analytical Methods: >99.0%
7099-89-0 / 2-(4-ethylphenyl)-2-oxoacetic acid
Basic Information
CAS
7099-89-0
Multi CAS
No
Molecular Formula
C10H10O3
Molecular Weight
178.180000
Exact Mass
178.062994
InChI
InChI=1S/C10H10O3/c1-2-7-3-5-8(6-4-7)9(11)10(12)13/h3-6H,2H2,1H3,(H,12,13)
InChIKey
JZWYXCNXIRYEHO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.79
TPSA
54.37
LogP / Solubility
WLOGP
1.52
MLOGP
1.33
XLogP3
2.1
Consensus LogP
1.65
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-2.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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