CAS RN: 132292-78-5
2-(4-fluorophenyl)-5-methyl-1,3-benzoxazole
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.20251102 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS132292-78-5
- Purity/Analytical Methods: >99.0%
132292-78-5 / 2-(4-fluorophenyl)-5-methyl-1,3-benzoxazole
Basic Information
CAS
132292-78-5
Multi CAS
No
Molecular Formula
C14H10FNO
Molecular Weight
227.230000
Exact Mass
227.074642
SMILES
CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)F
InChI
InChI=1S/C14H10FNO/c1-9-2-7-13-12(8-9)16-14(17-13)10-3-5-11(15)6-4-10/h2-8H,1H3
InChIKey
GOANJVMUGIYXOQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
64.14
TPSA
26.03
LogP / Solubility
WLOGP
3.94
MLOGP
3.47
XLogP3
3.9
Consensus LogP
3.77
Log S (ESOL)
-4.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.27
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
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)
-1.31
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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