CAS RN: 1260849-23-7
ethyl 2,6-difluoro-4-methoxybenzoate
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.20251114 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1260849-23-7
- Purity/Analytical Methods: >99.0%
1260849-23-7 / ethyl 2,6-difluoro-4-methoxybenzoate
Basic Information
CAS
1260849-23-7
Multi CAS
No
Molecular Formula
C10H10F2O3
Molecular Weight
216.180000
Exact Mass
216.059801
SMILES
CCOC(=O)C1=C(C=C(C=C1F)OC)F
InChI
InChI=1S/C10H10F2O3/c1-3-15-10(13)9-7(11)4-6(14-2)5-8(9)12/h4-5H,3H2,1-2H3
InChIKey
PWYVDWXBWUDXKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
48.87
TPSA
35.53
LogP / Solubility
WLOGP
2.15
MLOGP
1.89
XLogP3
2.3
Consensus LogP
2.11
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly 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)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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