![CAS 86386-76-7 1-[2-(2,4-difluorophenyl)-2,3-epoxypropyl]-1h-1,2,4-triazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/86386-76-7.gif)
CAS RN: 86386-76-7
1-[2-(2,4-difluorophenyl)-2,3-epoxypropyl]-1h-1,2,4-triazole
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.20260125 | 10g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS86386-76-7
- Purity/Analytical Methods: >99.0%
86386-76-7 / 1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
Basic Information
CAS
86386-76-7
Multi CAS
Yes
Molecular Formula
C11F2H9N3O
Molecular Weight
237.210000
Exact Mass
237.071368
InChI
InChI=1S/C11H9F2N3O/c12-8-1-2-9(10(13)3-8)11(5-17-11)4-16-7-14-6-15-16/h1-3,6-7H,4-5H2
InChIKey
UIXQTZYZQHYHRL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
54.01
TPSA
43.24
LogP / Solubility
WLOGP
1.48
MLOGP
1.31
XLogP3
1.3
Consensus LogP
1.36
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.79
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)
-3.11
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
2
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![CAS 86392-74-7 2-AMINO-4-METHOXY-7-(BETA-D-2-DEOXYRIBOFURANOSYL)PYRROLO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/86392-74-7.gif)
