CAS RN: 88206-46-6
Notopterol
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260101 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS88206-46-6
- Purity/Analytical Methods: >99.0%
88206-46-6 / 4-(5-hydroxy-3,7-dimethylocta-2,6-dienoxy)furo[3,2-g]chromen-7-one
Basic Information
CAS
88206-46-6
Multi CAS
Yes
Molecular Formula
C21H22O5
Molecular Weight
354.400000
Exact Mass
354.146724
InChI
InChI=1S/C21H22O5/c1-13(2)10-15(22)11-14(3)6-8-25-21-16-4-5-20(23)26-19(16)12-18-17(21)7-9-24-18/h4-7,9-10,12,15,22H,8,11H2,1-3H3/b14-6+
InChIKey
BKIACVAZUKISOR-MKMNVTDBSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
13
Fraction Csp3
0.29
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
1
Molar refractivity
101.56
TPSA
72.81
LogP / Solubility
WLOGP
4.58
MLOGP
4.05
XLogP3
4.5
Consensus LogP
4.38
Log S (ESOL)
-4.9
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.49
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.63
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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