CAS RN: 2070015-29-9
SJB3-019A
Product Availability
Choose a grade to view its available package options.
10 package records9 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250904 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260319 | 10mg | In stock | Shanghai | Inquiry | |
| Batchno.20260603 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20250115 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20251004 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20250423 | 25mg | In stock | Shanghai | Inquiry | |
| Batchno.20250906 | 2mg | In stock | Shanghai | Inquiry | |
| Batchno.20250226 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250903 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250824 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2070015-29-9
- Purity/Analytical Methods: >99.0%
2070015-29-9 / 2-pyridin-3-ylbenzo[f][1,3]benzoxazole-4,9-dione
Basic Information
CAS
2070015-29-9
Multi CAS
No
Molecular Formula
C16H8N2O3
Molecular Weight
276.250000
Exact Mass
276.053492
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC(=N3)C4=CN=CC=C4
InChI
InChI=1S/C16H8N2O3/c19-13-10-5-1-2-6-11(10)14(20)15-12(13)18-16(21-15)9-4-3-7-17-8-9/h1-8H
InChIKey
DOYPPVCQHGJUBC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
17
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
73.04
TPSA
73.06
LogP / Solubility
WLOGP
2.51
MLOGP
2.22
XLogP3
2.5
Consensus LogP
2.41
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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