CAS RN: 1261827-91-1
methyl 2-methoxy-3-methylphenylacetate
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.20250609 | 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1261827-91-1
- Purity/Analytical Methods: >99.0%
1261827-91-1 / methyl 2-(2-methoxy-3-methylphenyl)acetate
Basic Information
CAS
1261827-91-1
Multi CAS
No
Molecular Formula
C11H14O3
Molecular Weight
194.230000
Exact Mass
194.094294
SMILES
CC1=C(C(=CC=C1)CC(=O)OC)OC
InChI
InChI=1S/C11H14O3/c1-8-5-4-6-9(11(8)14-3)7-10(12)13-2/h4-6H,7H2,1-3H3
InChIKey
SZEJQSWKOCAGDN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
53.45
TPSA
35.53
LogP / Solubility
WLOGP
1.72
MLOGP
1.51
XLogP3
2
Consensus LogP
1.74
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)
-2.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
