![CAS 89560-97-4 7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(2R)-2-hydroxy-3-methoxy-3-methylbutoxy]-4-methoxy- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/89560-97-4.gif)
CAS RN: 89560-97-4
7H-Furo[3,2-g][1]benzopyran-7-one, 9-[(2R)-2-hydroxy-3-methoxy-3-methylbutoxy]-4-methoxy-
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.20250523 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS89560-97-4
- Purity/Analytical Methods: >99.0%
89560-97-4 / 9-[(2R)-2-hydroxy-3-methoxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one
Basic Information
CAS
89560-97-4
Multi CAS
No
Molecular Formula
C18H20O7
Molecular Weight
348.300000
Exact Mass
348.120903
InChI
InChI=1S/C18H20O7/c1-18(2,22-4)12(19)9-24-17-15-11(7-8-23-15)14(21-3)10-5-6-13(20)25-16(10)17/h5-8,12,19H,9H2,1-4H3/t12-/m1/s1
InChIKey
SCGNAXSXMSFZME-GFCCVEGCSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
13
Fraction Csp3
0.39
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
1
Molar refractivity
91.4
TPSA
91.27
LogP / Solubility
WLOGP
2.71
MLOGP
2.4
XLogP3
2.1
Consensus LogP
2.4
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
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
No
Log Kp (skin permeation)
-2.92
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
3
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