![CAS 1823582-50-8 2-Hydroxyethyl 1,4-Dioxaspiro[4.5]decane-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB12719662.gif)
CAS RN: 1823582-50-8
2-Hydroxyethyl 1,4-Dioxaspiro[4.5]decane-8-carboxylate
- Product code: SSC-083788
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
1823582-50-8 / 2-hydroxyethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
Basic Information
CAS
1823582-50-8
Multi CAS
No
Molecular Formula
C11H18O5
Molecular Weight
230.260000
Exact Mass
230.115424
SMILES
C1CC2(CCC1C(=O)OCCO)OCCO2
InChI
InChI=1S/C11H18O5/c12-5-6-14-10(13)9-1-3-11(4-2-9)15-7-8-16-11/h9,12H,1-8H2
InChIKey
VRNXQLJCSQQIPT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.91
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
54.64
TPSA
64.99
LogP / Solubility
WLOGP
0.46
MLOGP
0.4
XLogP3
0.1
Consensus LogP
0.32
Log S (ESOL)
-1.36
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
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)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 1823776-19-7 Tert-Butyl 8-(2-Hydroxyethyl)-5-Oxa-2-Azaspiro[3.4]Octane-2-Carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1823776-19-7.gif)