CAS RN: 191330-82-2
(R)-2-(2-BROMOPHENYL)-4-PHENYL-4,5-DIHYDROOXAZOLE
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 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS191330-82-2
- Purity/Analytical Methods: >99.0%
191330-82-2 / (4R)-2-(2-bromophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
Basic Information
CAS
191330-82-2
Multi CAS
No
Molecular Formula
C15H12BrNO
Molecular Weight
302.160000
Exact Mass
301.010230
SMILES
C1[C@H](N=C(O1)C2=CC=CC=C2Br)C3=CC=CC=C3
InChI
InChI=1S/C15H12BrNO/c16-13-9-5-4-8-12(13)15-17-14(10-18-15)11-6-2-1-3-7-11/h1-9,14H,10H2/t14-/m0/s1
InChIKey
VHKCPSPWIFJAKI-AWEZNQCLSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
75.81
TPSA
21.59
LogP / Solubility
WLOGP
3.97
MLOGP
3.5
XLogP3
3.8
Consensus LogP
3.76
Log S (ESOL)
-4.57
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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