CAS RN: 220384-17-8
5-Epicanadensene
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.20260301 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS220384-17-8
- Purity/Analytical Methods: >99.0%
220384-17-8 / [(2R,3Z,5S,7S,8E,10S,11R,13S)-2,3,5,10-tetraacetyloxy-7-hydroxy-8-(hydroxymethyl)-4,14,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-1(14),3,8-trienyl] acetate
Basic Information
CAS
220384-17-8
Multi CAS
No
Molecular Formula
C30H42O12
Molecular Weight
594.600000
Exact Mass
594.267627
SMILES
CC1=C2[C@H](/C(=C(/[C@H](C[C@@H](/C(=C/[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)OC(=O)C)/CO)O)OC(=O)C)\C)/OC(=O)C)OC(=O)C
InChI
InChI=1S/C30H42O12/c1-14-24(38-16(3)32)11-22-26(40-18(5)34)10-21(13-31)23(37)12-25(39-17(4)33)15(2)28(41-19(6)35)29(42-20(7)36)27(14)30(22,8)9/h10,22-26,29,31,37H,11-13H2,1-9H3/b21-10+,28-15-/t22-,23-,24-,25-,26-,29+/m0/s1
InChIKey
USDGRBIQBGVGOS-LBAPPZQKSA-N
Computed Properties
Structural Parameters
Heavy atom count
42
Fraction Csp3
0.63
Rotatable bonds
6
H-bond acceptors
12
H-bond donors
2
Molar refractivity
147.06
TPSA
171.96
LogP / Solubility
WLOGP
2.6
MLOGP
2.33
XLogP3
0.5
Consensus LogP
1.81
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.4
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)
-4.5
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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- Product Code: starshine_CAS22038-83-1
- Purity/Analytical method: >99.0%
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