CAS RN: 476682-97-0
6,9,10-Trihydroxy-7-megastigmen-3-one
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.20250731 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS476682-97-0
- Purity/Analytical Methods: >99.0%
476682-97-0 / cis-(4S,5R)-4-[(E,3R)-3,4-dihydroxybut-1-enyl]-4-hydroxy-3,3,5-trimethylcyclohexan-1-one
Basic Information
CAS
476682-97-0
Multi CAS
Yes
Molecular Formula
C13H22O4
Molecular Weight
242.310000
Exact Mass
242.151809
InChI
InChI=1S/C13H22O4/c1-9-6-11(16)7-12(2,3)13(9,17)5-4-10(15)8-14/h4-5,9-10,14-15,17H,6-8H2,1-3H3/b5-4+/t9-,10-,13-/m1/s1
InChIKey
NPIIJTPCHBVBJO-QRWGQXJOSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.77
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
64.37
TPSA
77.76
LogP / Solubility
WLOGP
0.65
MLOGP
0.58
XLogP3
-0.2
Consensus LogP
0.34
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.14
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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