CAS RN: 86989-18-6
No
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250712 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS86989-18-6
- Purity/Analytical Methods: >99.0%
86989-18-6 / [4-(5-hydroxy-2,2-dimethyl-6-oxopyrano[3,2-g]chromen-7-yl)phenyl] acetate
Basic Information
CAS
86989-18-6
Multi CAS
No
Molecular Formula
C22H18O6
Molecular Weight
378.400000
Exact Mass
378.110338
InChI
InChI=1S/C22H18O6/c1-12(23)27-14-6-4-13(5-7-14)16-11-26-18-10-17-15(8-9-22(2,3)28-17)20(24)19(18)21(16)25/h4-11,24H,1-3H3
InChIKey
UGAJYYNANGVRBF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
16
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
104.63
TPSA
85.97
LogP / Solubility
WLOGP
4.28
MLOGP
3.78
XLogP3
4.1
Consensus LogP
4.05
Log S (ESOL)
-5.17
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.91
Class (SILICOS-IT)
Slightly 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
Yes
Log Kp (skin permeation)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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