![CAS 947674-95-5 2-(BroModifluoroMethyl)-5-chlorobenzo[d]oxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/947674-95-5.gif)
CAS RN: 947674-95-5
2-(BroModifluoroMethyl)-5-chlorobenzo[d]oxazole
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.20250219 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS947674-95-5
- Purity/Analytical Methods: >99.0%
947674-95-5 / 2-[bromo(difluoro)methyl]-5-chloro-1,3-benzoxazole
Basic Information
CAS
947674-95-5
Multi CAS
No
Molecular Formula
C8H3BRCLF2NO
Molecular Weight
282.470000
Exact Mass
280.905460
InChI
InChI=1S/C8H3BrClF2NO/c9-8(11,12)7-13-5-3-4(10)1-2-6(5)14-7/h1-3H
InChIKey
VDHYSKVNFXFLDI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
51.84
TPSA
26.03
LogP / Solubility
WLOGP
3.93
MLOGP
3.46
XLogP3
3.7
Consensus LogP
3.7
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.87
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.66
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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