![CAS 77181-97-6 6,13-Dihydroxy-3,3,11,11-tetramethyl-3H,7H,11H-dipyrano[3,2-b:3′,2′-h]xanthen-7-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/77181-97-6.gif)
CAS RN: 77181-97-6
6,13-Dihydroxy-3,3,11,11-tetramethyl-3H,7H,11H-dipyrano[3,2-b:3′,2′-h]xanthen-7-one
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.20250329 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS77181-97-6
- Purity/Analytical Methods: >99.0%
77181-97-6 / 11,22-dihydroxy-7,7,19,19-tetramethyl-2,8,20-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3(12),4(9),5,10,15,17,21-octaen-13-one
Basic Information
CAS
77181-97-6
Multi CAS
No
Molecular Formula
C23H20O6
Molecular Weight
392.400000
Exact Mass
392.125988
InChI
InChI=1S/C23H20O6/c1-22(2)8-6-12-15(28-22)10-14(24)16-17(25)13-9-11-5-7-23(3,4)29-19(11)18(26)21(13)27-20(12)16/h5-10,24,26H,1-4H3
InChIKey
GSAPUFLPLOSGII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
14
Fraction Csp3
0.26
H-bond acceptors
6
H-bond donors
2
Molar refractivity
110.8
TPSA
89.13
LogP / Solubility
WLOGP
4.73
MLOGP
4.18
XLogP3
4.7
Consensus LogP
4.54
Log S (ESOL)
-5.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.13
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)
-1.76
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
3.5
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