![CAS 59086-93-0 3,3-Dimethyl-6-hydroxy-9,10-dimethoxy-3H-bis[1]benzopyrano[3,4-b:6′,5′-e]pyran-7(13H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/59086-93-0.gif)
CAS RN: 59086-93-0
3,3-Dimethyl-6-hydroxy-9,10-dimethoxy-3H-bis[1]benzopyrano[3,4-b:6′,5′-e]pyran-7(13H)-one
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260303 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS59086-93-0
- Purity/Analytical Methods: >99.0%
59086-93-0 / 11-hydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1(14),3(12),4(9),5,10,15,17,19-octaen-13-one
Basic Information
CAS
59086-93-0
Multi CAS
Yes
Molecular Formula
C23H20O7
Molecular Weight
408.400000
Exact Mass
408.120903
InChI
InChI=1S/C23H20O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,24H,10H2,1-4H3
InChIKey
HDDUSYQWBVKRGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
16
Fraction Csp3
0.26
Rotatable bonds
2
H-bond acceptors
7
H-bond donors
1
Molar refractivity
110.76
TPSA
87.36
LogP / Solubility
WLOGP
4.26
MLOGP
3.77
XLogP3
3.8
Consensus LogP
3.94
Log S (ESOL)
-5.32
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.09
Class (SILICOS-IT)
Insoluble
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)
-2.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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