CAS RN: 60547-63-9
1-acetyltagitinin A
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.20250427 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS60547-63-9
- Purity/Analytical Methods: >99.0%
60547-63-9 / (12-acetyloxy-1-hydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl) 2-methylpropanoate
Basic Information
CAS
60547-63-9
Multi CAS
Yes
Molecular Formula
C21H30O8
Molecular Weight
410.500000
Exact Mass
410.194068
InChI
InChI=1S/C21H30O8/c1-10(2)18(23)28-15-8-20(6)16(26-13(5)22)9-21(25,29-20)11(3)7-14-17(15)12(4)19(24)27-14/h10-11,14-17,25H,4,7-9H2,1-3,5-6H3
InChIKey
MFYNTWZAYXDJQB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.76
Rotatable bonds
3
H-bond acceptors
8
H-bond donors
1
Molar refractivity
100.24
TPSA
108.36
LogP / Solubility
WLOGP
1.88
MLOGP
1.68
XLogP3
2.4
Consensus LogP
1.99
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.89
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
9.5
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