CAS RN: 476640-22-9
Lushanrubescensin H
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.20260429 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS476640-22-9
- Purity/Analytical Methods: >99.0%
476640-22-9 / [(1S,1'S,3'R,5S,6S,9R)-3'-(hydroxymethyl)-4',4'-dimethyl-10-methylidene-2,11-dioxospiro[3-oxatricyclo[7.2.1.01,6]dodecane-5,2'-cyclohexane]-1'-yl] acetate
Basic Information
CAS
476640-22-9
Multi CAS
Yes
Molecular Formula
C22H30O6
Molecular Weight
390.500000
Exact Mass
390.204239
InChI
InChI=1S/C22H30O6/c1-12-14-5-6-15-21(9-14,18(12)25)19(26)27-11-22(15)16(10-23)20(3,4)8-7-17(22)28-13(2)24/h14-17,23H,1,5-11H2,2-4H3/t14-,15-,16-,17+,21+,22+/m1/s1
InChIKey
RAWOPLHURKGKQI-PTMKQUBYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
99.95
TPSA
89.9
LogP / Solubility
WLOGP
2.43
MLOGP
2.16
XLogP3
2.9
Consensus LogP
2.5
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
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)
-3.38
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
10
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- CAS RN: 476682-97-0
- Product Code: starshine_CAS476682-97-0
- Purity/Analytical method: >99.0%
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