CAS RN: 83150-97-4
(12R)-21-Acetyloxy-13-deoxy-5β-hydroxyenmein
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.20250620 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS83150-97-4
- Purity/Analytical Methods: >99.0%
83150-97-4 / [(1S,4S,7R,8R,9R,12S,13S,14R,16S)-9,14-dihydroxy-7-methyl-17-methylidene-2,18-dioxo-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecan-7-yl]methyl acetate
Basic Information
CAS
83150-97-4
Multi CAS
Yes
Molecular Formula
C22H28O8
Molecular Weight
420.500000
Exact Mass
420.178418
InChI
InChI=1S/C22H28O8/c1-10-12-6-13(24)15-21(7-12,17(10)25)19(27)30-14-4-5-20(3,8-28-11(2)23)16-18(26)29-9-22(14,15)16/h12-16,18,24,26H,1,4-9H2,2-3H3/t12-,13-,14+,15-,16-,18-,20+,21+,22+/m1/s1
InChIKey
WORCTCAHGPHFQO-WEOPCBAZSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.77
Rotatable bonds
2
H-bond acceptors
8
H-bond donors
2
Molar refractivity
100.54
TPSA
119.36
LogP / Solubility
WLOGP
0.74
MLOGP
0.68
XLogP3
0.8
Consensus LogP
0.74
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.25
Class (SILICOS-IT)
Poorly 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)
-4.76
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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