CAS RN: 188345-25-7
3,4-DIFLUORO-N-METHOXY-N-METHYLBENZAMIDE
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.20260508 | 25g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS188345-25-7
- Purity/Analytical Methods: >99.0%
188345-25-7 / 3,4-difluoro-N-methoxy-N-methylbenzamide
Basic Information
CAS
188345-25-7
Multi CAS
No
Molecular Formula
C9H9F2NO2
Molecular Weight
201.170000
Exact Mass
201.060135
SMILES
CN(C(=O)C1=CC(=C(C=C1)F)F)OC
InChI
InChI=1S/C9H9F2NO2/c1-12(14-2)9(13)6-3-4-7(10)8(11)5-6/h3-5H,1-2H3
InChIKey
FDVLMFYILRWQOV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
45.46
TPSA
29.54
LogP / Solubility
WLOGP
1.6
MLOGP
1.41
XLogP3
1.6
Consensus LogP
1.54
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.53
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)
-2.81
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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