CAS RN: 581-31-7
SUBEROSIN
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260611 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS581-31-7
- Purity/Analytical Methods: >99.0%
581-31-7 / 7-methoxy-6-(3-methylbut-2-enyl)chromen-2-one
Basic Information
CAS
581-31-7
Multi CAS
Yes
Molecular Formula
C15H16O3
Molecular Weight
244.280000
Exact Mass
244.109944
InChI
InChI=1S/C15H16O3/c1-10(2)4-5-11-8-12-6-7-15(16)18-14(12)9-13(11)17-3/h4,6-9H,5H2,1-3H3
InChIKey
RSZDAYHEZSRVHS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
10
Fraction Csp3
0.27
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
72.17
TPSA
39.44
LogP / Solubility
WLOGP
3.31
MLOGP
2.92
XLogP3
3.8
Consensus LogP
3.34
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.95
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.36
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
-
-
1-(4-BIPHENYLYL)-4,4,4-TRIFLUORO-1,3-BUTANEDIONE
- CAS RN: 581-83-9
- Product Code: starshine_CAS581-83-9
- Purity/Analytical method: >99.0%
-
