CAS RN: 5443-16-3
Nsc13695
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251224 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
| Batchno.20260206 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20260624 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20260222 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260301 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS5443-16-3
- Purity/Analytical Methods: >99.0%
5443-16-3 / 17-oxapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Basic Information
CAS
5443-16-3
Multi CAS
Yes
Molecular Formula
C18H12O3
Molecular Weight
276.300000
Exact Mass
276.078644
InChI
InChI=1S/C18H12O3/c19-17-15-13-9-5-1-2-6-10(9)14(16(15)18(20)21-17)12-8-4-3-7-11(12)13/h1-8,13-16H
InChIKey
PSKVQQJLLWSBFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.22
H-bond acceptors
3
Molar refractivity
74.65
TPSA
43.37
LogP / Solubility
WLOGP
2.59
MLOGP
2.29
XLogP3
2.6
Consensus LogP
2.49
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.7
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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)
-2.56
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
7
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