![CAS 2738657-27-5 2,2′-(propane-2,2-diyl)bis(5-fluorobenzo[d]oxazole) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2738657-27-5.gif)
CAS RN: 2738657-27-5
2,2′-(propane-2,2-diyl)bis(5-fluorobenzo[d]oxazole)
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.20250420 | 100mg / 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2738657-27-5
- Purity/Analytical Methods: >99.0%
2738657-27-5 / 5-fluoro-2-[2-(5-fluoro-1,3-benzoxazol-2-yl)propan-2-yl]-1,3-benzoxazole
Basic Information
CAS
2738657-27-5
Multi CAS
No
Molecular Formula
C17H12F2N2O2
Molecular Weight
314.290000
Exact Mass
314.086684
SMILES
CC(C)(C1=NC2=C(O1)C=CC(=C2)F)C3=NC4=C(O3)C=CC(=C4)F
InChI
InChI=1S/C17H12F2N2O2/c1-17(2,15-20-11-7-9(18)3-5-13(11)22-15)16-21-12-8-10(19)4-6-14(12)23-16/h3-8H,1-2H3
InChIKey
NRHPETKVGKEQHT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
80.06
TPSA
52.06
LogP / Solubility
WLOGP
4.57
MLOGP
4.04
XLogP3
4.7
Consensus LogP
4.44
Log S (ESOL)
-5.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.74
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)
-1.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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