CAS RN: 162490-88-2
sordidin
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250126 | 1mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS162490-88-2
- Purity/Analytical Methods: >99.0%
162490-88-2 / (1S,3R,5R,7S)-1-ethyl-3,5,7-trimethyl-2,8-dioxabicyclo[3.2.1]octane
Basic Information
CAS
162490-88-2
Multi CAS
No
Molecular Formula
C11H20O2
Molecular Weight
184.270000
Exact Mass
184.146330
SMILES
CC[C@@]12[C@H](C[C@@](O1)(C[C@H](O2)C)C)C
InChI
InChI=1S/C11H20O2/c1-5-11-8(2)6-10(4,13-11)7-9(3)12-11/h8-9H,5-7H2,1-4H3/t8-,9+,10+,11-/m0/s1
InChIKey
LOGJGKGBKZOEKZ-ZDCRXTMVSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
51.46
TPSA
18.46
LogP / Solubility
WLOGP
2.72
MLOGP
2.39
XLogP3
2.5
Consensus LogP
2.54
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.23
Class (SILICOS-IT)
Poorly 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)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
Safety & Transport
Signal
Warning
GHS Hazard Statements
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501
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- Product Code: starshine_CAS162504-86-1
- Purity/Analytical method: >99.0%
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