![CAS 76284-87-2 2-[(4-bromophenyl)methyl]benzooxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/76284-87-2.gif)
CAS RN: 76284-87-2
2-[(4-bromophenyl)methyl]benzooxazole
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.20250930 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS76284-87-2
- Purity/Analytical Methods: >99.0%
76284-87-2 / 2-[(4-bromophenyl)methyl]-1,3-benzoxazole
Basic Information
CAS
76284-87-2
Multi CAS
No
Molecular Formula
BC14H10ORn
Molecular Weight
288.140000
Exact Mass
286.994580
InChI
InChI=1S/C14H10BrNO/c15-11-7-5-10(6-8-11)9-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2
InChIKey
GAKVIUPIYZMQBR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
70.96
TPSA
26.03
LogP / Solubility
WLOGP
4.18
MLOGP
3.69
XLogP3
4.4
Consensus LogP
4.09
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
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)
-1.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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