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CAS RN: 361336-79-0
METHYL 2-(2,6-DIFLUORO-3-NITROPHENYL)ACETATE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260630 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS361336-79-0
- Purity/Analytical Methods: >99.0%
361336-79-0 / methyl 2-(2,6-difluoro-3-nitrophenyl)acetate
Basic Information
CAS
361336-79-0
Multi CAS
No
Molecular Formula
C9F2H7NO4
Molecular Weight
231.150000
Exact Mass
231.034314
InChI
InChI=1S/C9H7F2NO4/c1-16-8(13)4-5-6(10)2-3-7(9(5)11)12(14)15/h2-3H,4H2,1H3
InChIKey
JJPRWZKMLLWYBW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
48.73
TPSA
69.44
LogP / Solubility
WLOGP
1.59
MLOGP
1.4
XLogP3
1.7
Consensus LogP
1.56
Log S (ESOL)
-2.35
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
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
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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![CAS 361342-51-0 (11bR)-2,6-Di-9-anthracenyl-4-hydroxy-dinaphtho[2,1-d:1μ,2μ-f][1,3,2]dioxaphosphepin-4-oxide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/361342-51-0(2).gif)
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