![CAS 23554-81-6 (2R,4’aα,5S)-3′,4,4′,4a’,5,5′,6′,7′,8′,8a’-Decahydro-6’β-hydroxy-5-(2-hydroxyethyl)-2’α,5′,8’aβ-trimethylspiro[furan-2(3H),1′(2’H)-naphthalene]-5,5’α-dimethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/23554-81-6.gif)
CAS RN: 23554-81-6
(2R,4’aα,5S)-3′,4,4′,4a’,5,5′,6′,7′,8′,8a’-Decahydro-6’β-hydroxy-5-(2-hydroxyethyl)-2’α,5′,8’aβ-trimethylspiro[furan-2(3H),1′(2’H)-naphthalene]-5,5’α-dimethanol
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.20250627 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS23554-81-6
- Purity/Analytical Methods: >99.0%
23554-81-6 / 5'-(2-hydroxyethyl)-1,5'-bis(hydroxymethyl)-1,4a,6-trimethylspiro[3,4,6,7,8,8a-hexahydro-2H-naphthalene-5,2'-oxolane]-2-ol
Basic Information
CAS
23554-81-6
Multi CAS
No
Molecular Formula
C20H36O5
Molecular Weight
356.500000
Exact Mass
356.256274
SMILES
CC1CCC2C(C13CCC(O3)(CCO)CO)(CCC(C2(C)CO)O)C
InChI
InChI=1S/C20H36O5/c1-14-4-5-15-17(2,12-22)16(24)6-7-18(15,3)20(14)9-8-19(13-23,25-20)10-11-21/h14-16,21-24H,4-13H2,1-3H3/t14-,15+,16+,17+,18+,19+,20-/m1/s1
InChIKey
XYPPDQHBNJURHU-IPOQXWOTSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
4
Molar refractivity
95
TPSA
90.15
LogP / Solubility
WLOGP
1.85
MLOGP
1.65
XLogP3
2.1
Consensus LogP
1.87
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
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)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
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