CAS RN: 315694-89-4
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8 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251206 | 100mg | Out of stock | Inquiry | |
| Batchno.20250502 | 10mg | Out of stock | Inquiry | |
| Batchno.20250713 | 10mg | Out of stock | 5-7 business days | Inquiry |
| Batchno.20250108 | 1mg | Out of stock | Inquiry | |
| Batchno.20250206 | 25mg | Out of stock | Inquiry | |
| Batchno.20251109 | 2mg | Out of stock | Inquiry | |
| Batchno.20250616 | 50mg | Out of stock | Inquiry | |
| Batchno.20251025 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS315694-89-4
- Purity/Analytical Methods: >99.0%
315694-89-4 / (4Z)-2-[(E)-2-phenylethenyl]-4-(pyridin-3-ylmethylidene)-1,3-oxazol-5-one
Basic Information
CAS
315694-89-4
Multi CAS
Yes
Molecular Formula
C17H12N2O2
Molecular Weight
276.290000
Exact Mass
276.089878
InChI
InChI=1S/C17H12N2O2/c20-17-15(11-14-7-4-10-18-12-14)19-16(21-17)9-8-13-5-2-1-3-6-13/h1-12H/b9-8+,15-11+
InChIKey
GFGMISOSPOPSHN-QCTDOKRBSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
81.22
TPSA
51.55
LogP / Solubility
WLOGP
3.09
MLOGP
2.73
XLogP3
2.9
Consensus LogP
2.91
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.38
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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