CAS RN: 96684-81-0
Viscidulin III tetraacetate
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock1 grade group
- Product code: starshine_CAS96684-81-0
- Purity/Analytical Methods: >99.0%
96684-81-0 / [4-acetyloxy-2-(5,7-diacetyloxy-8-methoxy-4-oxochromen-2-yl)-3-methoxyphenyl] acetate
Basic Information
CAS
96684-81-0
Multi CAS
No
Molecular Formula
C25H22O12
Molecular Weight
514.400000
Exact Mass
514.111126
InChI
InChI=1S/C25H22O12/c1-11(26)33-16-7-8-17(34-12(2)27)23(31-5)22(16)18-9-15(30)21-19(35-13(3)28)10-20(36-14(4)29)24(32-6)25(21)37-18/h7-10H,1-6H3
InChIKey
ARXXHQVYAGXNBP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Aromatic heavy atom count
16
Fraction Csp3
0.24
Rotatable bonds
7
H-bond acceptors
12
Molar refractivity
126.26
TPSA
153.87
LogP / Solubility
WLOGP
3.18
MLOGP
2.83
XLogP3
2.1
Consensus LogP
2.7
Log S (ESOL)
-4.89
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.48
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.6
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
N-(4-BROMO-2-METHYLPHENYL)-2-CHLOROACETAMIDE
- CAS RN: 96686-51-0
- Product Code: starshine_CAS96686-51-0
- Purity/Analytical method: >99.0%
-
5-O-TERT-BUTYLDIPHENYLSILYL-2,3-O-ISOPROPYLIDENE-D-RIBOFURANOSE
- CAS RN: 96690-02-7
- Product Code: SSC-212085
-
-
4,7-Bis(biphenyl)-1,10-phenanthroline
- CAS RN: 96710-07-5
- Product Code: starshine_CAS96710-07-5
- Purity/Analytical method: >99.0%
-
5-(4-aMinophenyl)pyridin-2-aMine
- CAS RN: 96721-87-8
- Product Code: starshine_CAS96721-87-8
- Purity/Analytical method: >99.0%
-
