CAS RN: 1259330-61-4
Sparstolonin B
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.20250625 | 1mg / 5mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1259330-61-4
- Purity/Analytical Methods: >99.0%
1259330-61-4 / 4,14-dihydroxy-8,15-dioxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,13-heptaen-12-one
Basic Information
CAS
1259330-61-4
Multi CAS
No
Molecular Formula
C15H8O5
Molecular Weight
268.220000
Exact Mass
268.037173
SMILES
C1=CC2=C(C=C1O)C3=COC(=C4C3=C(O2)C=CC4=O)O
InChI
InChI=1S/C15H8O5/c16-7-1-3-11-8(5-7)9-6-19-15(18)14-10(17)2-4-12(20-11)13(9)14/h1-6,16,18H
InChIKey
KUPDHLFGNQEASI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
17
H-bond acceptors
5
H-bond donors
2
Molar refractivity
73.09
TPSA
83.81
LogP / Solubility
WLOGP
3.1
MLOGP
2.74
XLogP3
1.5
Consensus LogP
2.45
Log S (ESOL)
-4.09
Class (ESOL)
Slightly soluble
Log S (Ali)
-4
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.98
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.15
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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