CAS RN: 333773-08-3
WAY-300442
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.20251125 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS333773-08-3
- Purity/Analytical Methods: >99.0%
333773-08-3 / 3-[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]-6-methoxychromen-2-one
Basic Information
CAS
333773-08-3
Multi CAS
No
Molecular Formula
BC18H11O4Rn2
Molecular Weight
399.200000
Exact Mass
397.990220
InChI
InChI=1S/C18H11BrN2O4/c1-23-11-6-7-15-10(8-11)9-13(18(22)24-15)17-21-20-16(25-17)12-4-2-3-5-14(12)19/h2-9H,1H3
InChIKey
WOAOONPOPPXSIQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
21
Fraction Csp3
0.06
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
95.46
TPSA
78.36
LogP / Solubility
WLOGP
4.28
MLOGP
3.79
XLogP3
3.7
Consensus LogP
3.92
Log S (ESOL)
-5.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.92
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.17
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.12
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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