CAS RN: 79498-37-6
Glaucocalyxin A diacetate
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.20260128 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS79498-37-6
- Purity/Analytical Methods: >99.0%
79498-37-6 / [(1R,2R,4S,9R,10S,13S,16R)-16-acetyloxy-5,5,9-trimethyl-14-methylidene-6,15-dioxo-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
Basic Information
CAS
79498-37-6
Multi CAS
Yes
Molecular Formula
C24H32O6
Molecular Weight
416.500000
Exact Mass
416.219889
InChI
InChI=1S/C24H32O6/c1-12-15-7-8-16-23(6)10-9-18(27)22(4,5)17(23)11-19(29-13(2)25)24(16,20(12)28)21(15)30-14(3)26/h15-17,19,21H,1,7-11H2,2-6H3/t15-,16-,17+,19+,21+,23-,24-/m0/s1
InChIKey
SSZYTFVVHZMNKM-HQYKWGRBSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.75
Rotatable bonds
2
H-bond acceptors
6
Molar refractivity
108.14
TPSA
86.74
LogP / Solubility
WLOGP
3.42
MLOGP
3.03
XLogP3
2.9
Consensus LogP
3.12
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.44
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
Yes
Log Kp (skin permeation)
-2.83
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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