CAS RN: 160149-03-1
4-(bromomethyl)-2-phenyl-4,5-dihydrooxazole
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250312 | 100mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS160149-03-1
- Purity/Analytical Methods: >99.0%
160149-03-1 / 4-(bromomethyl)-2-phenyl-4,5-dihydro-1,3-oxazole
Basic Information
CAS
160149-03-1
Multi CAS
No
Molecular Formula
C10H10BrNO
Molecular Weight
240.100000
Exact Mass
238.994580
SMILES
C1C(N=C(O1)C2=CC=CC=C2)CBr
InChI
InChI=1S/C10H10BrNO/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKey
XBYZRCKWDUWPOC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
56.51
TPSA
21.59
LogP / Solubility
WLOGP
2.23
MLOGP
1.96
XLogP3
2.3
Consensus LogP
2.16
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.6
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
2
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