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CAS RN: 35773-42-3
3-(benzoxazol-2-yl)-7-(diethylamino)-2-benzopyrone
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260528 | 1mg / 5mg / 10mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS35773-42-3
- Purity/Analytical Methods: >99.0%
35773-42-3 / 3-(1,3-benzoxazol-2-yl)-7-(diethylamino)chromen-2-one
Basic Information
CAS
35773-42-3
Multi CAS
Yes
Molecular Formula
C20H18N2O3
Molecular Weight
334.400000
Exact Mass
334.131742
InChI
InChI=1S/C20H18N2O3/c1-3-22(4-2)14-10-9-13-11-15(20(23)25-18(13)12-14)19-21-16-7-5-6-8-17(16)24-19/h5-12H,3-4H2,1-2H3
InChIKey
UJOQSHCJYVRZKJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
19
Fraction Csp3
0.2
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
99.05
TPSA
59.48
LogP / Solubility
WLOGP
4.45
MLOGP
3.93
XLogP3
4.3
Consensus LogP
4.23
Log S (ESOL)
-5.01
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6
Class (SILICOS-IT)
Insoluble
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)
-1.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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