CAS RN: 72229-39-1
2α-Hydroxyeupatolide 8-O-angelate
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.20250423 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS72229-39-1
- Purity/Analytical Methods: >99.0%
72229-39-1 / [(3aR,4R,6E,8S,10E,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
Basic Information
CAS
72229-39-1
Multi CAS
Yes
Molecular Formula
C20H26O5
Molecular Weight
346.400000
Exact Mass
346.178024
InChI
InChI=1S/C20H26O5/c1-6-13(4)19(22)24-16-9-11(2)7-15(21)8-12(3)10-17-18(16)14(5)20(23)25-17/h6-7,10,15-18,21H,5,8-9H2,1-4H3/b11-7+,12-10+,13-6-/t15-,16-,17-,18-/m1/s1
InChIKey
ZYKRXWIPMUJNME-OLQIGLHESA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
94.58
TPSA
72.83
LogP / Solubility
WLOGP
3.01
MLOGP
2.67
XLogP3
2.5
Consensus LogP
2.73
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
6
Customers Also Viewed
-
NEOLINUSTATIN
- CAS RN: 72229-42-6
- Product Code: starshine_CAS72229-42-6
- Purity/Analytical method: >99.0%
-
-
-
-
-
