CAS RN: 91437-09-1
2-DIFLUOROMETHYL-BENZOXAZOLE
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.20250124 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS91437-09-1
- Purity/Analytical Methods: >99.0%
91437-09-1 / 2-(difluoromethyl)-1,3-benzoxazole
Basic Information
CAS
91437-09-1
Multi CAS
No
Molecular Formula
C8F2H5NO
Molecular Weight
169.130000
Exact Mass
169.033920
InChI
InChI=1S/C8H5F2NO/c9-7(10)8-11-5-3-1-2-4-6(5)12-8/h1-4,7H
InChIKey
UDIPXWGWAFYJOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
38.97
TPSA
26.03
LogP / Solubility
WLOGP
2.77
MLOGP
2.43
XLogP3
2.4
Consensus LogP
2.53
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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