CAS RN: 59092-91-0
Albaspidin AP
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.20260116 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS59092-91-0
- Purity/Analytical Methods: >99.0%
59092-91-0 / 2-acetyl-4-[(2,6-dihydroxy-3,3-dimethyl-4-oxo-5-propanoylcyclohexa-1,5-dien-1-yl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
Basic Information
CAS
59092-91-0
Multi CAS
Yes
Molecular Formula
C22H26O8
Molecular Weight
418.400000
Exact Mass
418.162768
InChI
InChI=1S/C22H26O8/c1-7-12(24)14-16(26)11(18(28)22(5,6)20(14)30)8-10-15(25)13(9(2)23)19(29)21(3,4)17(10)27/h25-28H,7-8H2,1-6H3
InChIKey
KINDGCLGBSBXOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.45
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
4
Molar refractivity
106.79
TPSA
149.2
LogP / Solubility
WLOGP
3.41
MLOGP
3.03
XLogP3
1.8
Consensus LogP
2.75
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.81
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
Phadodendrol
- CAS RN: 59092-94-3
- Product Code: starshine_CAS59092-94-3
- Purity/Analytical method: >99.0%
-
H-GLY-ALA-OME HCL
- CAS RN: 59095-76-0
- Product Code: starshine_CAS59095-76-0
- Purity/Analytical method: >99.0%
-
Methyl1-methyl-1,2,3,6-tetrahydropyridine-4-carboxylate
- CAS RN: 59097-06-2
- Product Code: SSC-167481
-
-
-
