CAS RN: 84652-33-5
Decinnamoyltaxinine J
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.20250408 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS84652-33-5
- Purity/Analytical Methods: >99.0%
84652-33-5 / (2,7,9,10-tetraacetyloxy-5-hydroxy-8,12,15,15-tetramethyl-4-methylidene-13-tricyclo[9.3.1.03,8]pentadec-11-enyl) acetate
Basic Information
CAS
84652-33-5
Multi CAS
Yes
Molecular Formula
C30H42O11
Molecular Weight
578.600000
Exact Mass
578.272712
InChI
InChI=1S/C30H42O11/c1-13-21(36)12-23(38-16(4)32)30(10)25(13)26(39-17(5)33)20-11-22(37-15(3)31)14(2)24(29(20,8)9)27(40-18(6)34)28(30)41-19(7)35/h20-23,25-28,36H,1,11-12H2,2-10H3/t20-,21-,22-,23-,25-,26+,27+,28-,30+/m0/s1
InChIKey
NTRHFSRAAXRZLC-FJANQRQLSA-N
Computed Properties
Structural Parameters
Heavy atom count
41
Fraction Csp3
0.7
Rotatable bonds
5
H-bond acceptors
11
H-bond donors
1
Molar refractivity
143.72
TPSA
151.73
LogP / Solubility
WLOGP
2.96
MLOGP
2.65
XLogP3
1.6
Consensus LogP
2.4
Log S (ESOL)
-4.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.48
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
-4.15
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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