CAS RN: 1315571-18-6
Benzoxazole, 2-(4-bromophenyl)-6-chloro-
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250330 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1315571-18-6
- Purity/Analytical Methods: >99.0%
1315571-18-6 / 2-(4-bromophenyl)-6-chloro-1,3-benzoxazole
Basic Information
CAS
1315571-18-6
Multi CAS
No
Molecular Formula
C13H7BrClNO
Molecular Weight
308.560000
Exact Mass
306.939950
SMILES
C1=CC(=CC=C1C2=NC3=C(O2)C=C(C=C3)Cl)Br
InChI
InChI=1S/C13H7BrClNO/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H
InChIKey
VHAZXMTXNWUQCY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
72.16
TPSA
26.03
LogP / Solubility
WLOGP
4.91
MLOGP
4.33
XLogP3
4.7
Consensus LogP
4.65
Log S (ESOL)
-5.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.86
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.12
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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