CAS RN: 5180-78-9
Methyl 2-(2-methoxyphenyl)-2-oxoacetate
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.20250722 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS5180-78-9
- Purity/Analytical Methods: >99.0%
5180-78-9 / methyl 2-(2-methoxyphenyl)-2-oxoacetate
Basic Information
CAS
5180-78-9
Multi CAS
No
Molecular Formula
C10H10O4
Molecular Weight
194.180000
Exact Mass
194.057909
InChI
InChI=1S/C10H10O4/c1-13-8-6-4-3-5-7(8)9(11)10(12)14-2/h3-6H,1-2H3
InChIKey
FOEARYCWOQRQBK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
49.34
TPSA
52.6
LogP / Solubility
WLOGP
1.05
MLOGP
0.92
XLogP3
1.9
Consensus LogP
1.29
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
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)
-3.16
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
