![CAS 1146699-64-0 1,2,4-Oxadiazole, 3-[4-(broMoMethyl)-3-fluorophenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1146699-64-0.gif)
CAS RN: 1146699-64-0
1,2,4-Oxadiazole, 3-[4-(broMoMethyl)-3-fluorophenyl]-
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock2 grade groups
- Product code: SSC-014368
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 0.1g, 1g, 5g
- Available purity: >95%
- Inventory rows with stock: 1
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1146699-64-0 / 3-[4-(bromomethyl)-3-fluorophenyl]-1,2,4-oxadiazole
3-(4-(Bromomethyl)-3-fluorophenyl)-1,2,4-oxadiazole | 3-[4-(bromomethyl)-3-fluorophenyl]-1,2,4-oxadiazole | MFCD13181201
Basic Information
CAS
1146699-64-0
Multi CAS
No
Molecular Formula
C9H6BrFN2O
Molecular Weight
257.060000
Exact Mass
255.964750
SMILES
C1=CC(=C(C=C1C2=NOC=N2)F)CBr
InChI
InChI=1S/C9H6BrFN2O/c10-4-7-2-1-6(3-8(7)11)9-12-5-14-13-9/h1-3,5H,4H2
InChIKey
ZBKXTEJUTGXVJL-UHFFFAOYSA-N
Synonyms
3-(4-(Bromomethyl)-3-fluorophenyl)-1,2,4-oxadiazole
3-[4-(bromomethyl)-3-fluorophenyl]-1,2,4-oxadiazole
MFCD13181201
1,2,4-Oxadiazole, 3-[4-(bromomethyl)-3-fluorophenyl]-
SCHEMBL310990
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
52.32
TPSA
38.92
LogP / Solubility
WLOGP
2.77
MLOGP
2.44
XLogP3
2.5
Consensus LogP
2.57
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.67
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.87
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
PentanaMide, 2-[[(4-chlorophenyl)sulfonyl]aMino]-5,5,5-trifluoro-, (2R)-
- CAS RN: 1146699-67-3
- Product Code: starshine_CAS1146699-67-3
- Purity/Analytical method: >99.0%
-
Pentanamide, 2-amino-5,5,5-trifluoro-,(2R)-
- CAS RN: 1146852-37-0
- Product Code: starshine_CAS1146852-37-0
- Purity/Analytical method: >99.0%
-
1-Piperazinecarboxylic acid, 4-(4-bromo-3-fluorophenyl)-, 1,1-dimethylethyl ester
- CAS RN: 1146950-54-0
- Product Code: SSC-014397
-
1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-(methoxymethyl)-, 1,1-dimethylethyl ester, (2R,4R)-
- CAS RN: 1146951-37-2
- Product Code: SSC-014399
-
![CAS 1146699-67-3 PentanaMide, 2-[[(4-chlorophenyl)sulfonyl]aMino]-5,5,5-trifluoro-, (2R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1146699-67-3.gif)
