![CAS 2770294-29-4 2,2′-(propane-2,2-diyl)bis(6-methylbenzo[d]oxazole) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2770294-29-4.gif)
CAS RN: 2770294-29-4
2,2′-(propane-2,2-diyl)bis(6-methylbenzo[d]oxazole)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260129 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS2770294-29-4
- Purity/Analytical Methods: >99.0%
2770294-29-4 / 6-methyl-2-[2-(6-methyl-1,3-benzoxazol-2-yl)propan-2-yl]-1,3-benzoxazole
Basic Information
CAS
2770294-29-4
Multi CAS
No
Molecular Formula
C19H18N2O2
Molecular Weight
306.400000
Exact Mass
306.136828
InChI
InChI=1S/C19H18N2O2/c1-11-5-7-13-15(9-11)22-17(20-13)19(3,4)18-21-14-8-6-12(2)10-16(14)23-18/h5-10H,1-4H3
InChIKey
XNYRRWAYAAFIQH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.26
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
89.62
TPSA
52.06
LogP / Solubility
WLOGP
4.91
MLOGP
4.34
XLogP3
5.2
Consensus LogP
4.82
Log S (ESOL)
-5.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.62
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.97
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)
-1.1
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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