CAS RN: 79406-13-6
3α-CinnaMoyloxypterokaurene L3
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.20250228 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS79406-13-6
- Purity/Analytical Methods: >99.0%
79406-13-6 / (1S,4S,5S,6R,9R,10S,13S)-10-hydroxy-5,9-dimethyl-14-methylidene-6-[(E)-3-phenylprop-2-enoyl]oxytetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid
Basic Information
CAS
79406-13-6
Multi CAS
Yes
Molecular Formula
C29H36O5
Molecular Weight
464.600000
Exact Mass
464.256274
InChI
InChI=1S/C29H36O5/c1-19-17-28-15-12-22-26(2,29(28,33)16-11-21(19)18-28)14-13-23(27(22,3)25(31)32)34-24(30)10-9-20-7-5-4-6-8-20/h4-10,21-23,33H,1,11-18H2,2-3H3,(H,31,32)/b10-9+/t21-,22-,23+,26+,27-,28+,29+/m0/s1
InChIKey
JZOCBKSMVFBSKG-OQOIVFRYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
129.64
TPSA
83.83
LogP / Solubility
WLOGP
5.39
MLOGP
4.78
XLogP3
4.9
Consensus LogP
5.02
Log S (ESOL)
-5.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.63
Class (SILICOS-IT)
Insoluble
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)
-1.73
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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