CAS RN: 129214-59-1
15-DihydroepioxylubiMin
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.20260629 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS129214-59-1
- Purity/Analytical Methods: >99.0%
129214-59-1 / (3R,5R,6S,7R,8R,10R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-7,8-diol
Basic Information
CAS
129214-59-1
Multi CAS
No
Molecular Formula
C15H26O3
Molecular Weight
254.360000
Exact Mass
254.188195
SMILES
C[C@@H]1[C@H]([C@@H](C[C@H]([C@]12CC[C@H](C2)C(=C)C)CO)O)O
InChI
InChI=1S/C15H26O3/c1-9(2)11-4-5-15(7-11)10(3)14(18)13(17)6-12(15)8-16/h10-14,16-18H,1,4-8H2,2-3H3/t10-,11-,12+,13-,14-,15+/m1/s1
InChIKey
NPIIWZCGVADPIE-KYFQHEKYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.87
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
70.96
TPSA
60.69
LogP / Solubility
WLOGP
1.72
MLOGP
1.52
XLogP3
2.5
Consensus LogP
1.91
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.98
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)
-3.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5.5
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