CAS RN: 50597-93-8
Isojacareubin
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250220 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS50597-93-8
- Purity/Analytical Methods: >99.0%
50597-93-8 / 6,10,11-trihydroxy-3,3-dimethylpyrano[2,3-c]xanthen-7-one
Basic Information
CAS
50597-93-8
Multi CAS
No
Molecular Formula
C18H14O6
Molecular Weight
326.300000
Exact Mass
326.079038
InChI
InChI=1S/C18H14O6/c1-18(2)6-5-8-12(24-18)7-11(20)13-14(21)9-3-4-10(19)15(22)17(9)23-16(8)13/h3-7,19-20,22H,1-2H3
InChIKey
FSTNFJKGRSHPBO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
14
Fraction Csp3
0.17
H-bond acceptors
6
H-bond donors
3
Molar refractivity
88.73
TPSA
100.13
LogP / Solubility
WLOGP
3.25
MLOGP
2.87
XLogP3
3.4
Consensus LogP
3.17
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
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)
-2.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
Customers Also Viewed
-
-
-
2-ACETAMIDO-2-DEOXY-4,6-O-ISOPROPYLIDENE-D-GLUCOPYRANOSE
- CAS RN: 50605-09-9
- Product Code: starshine_CAS50605-09-9
- Purity/Analytical method: >99.0%
-
-
-
