![CAS 23511-05-9 1,4-Dioxaspiro[4.5]decan-8-ol 4-methylbenzenesulfonate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/23511-05-9.gif)
CAS RN: 23511-05-9
1,4-Dioxaspiro[4.5]decan-8-ol 4-methylbenzenesulfonate
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.20250901 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-113717
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 10g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 5
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >97% | 4 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 4 In Stock | Shanghai | Inquiry |
| 10g | >97% | 4 In Stock | Shanghai | Inquiry |
| 1g | >97% | 3 In Stock | Shanghai | Inquiry |
| 5g | >97% | 3 In Stock | Shenzhen | Inquiry |
23511-05-9 / 1,4-dioxaspiro[4.5]decan-8-yl 4-methylbenzenesulfonate
Basic Information
CAS
23511-05-9
Multi CAS
No
Molecular Formula
C15H20O5S
Molecular Weight
312.400000
Exact Mass
312.103145
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OC2CCC3(CC2)OCCO3
InChI
InChI=1S/C15H20O5S/c1-12-2-4-14(5-3-12)21(16,17)20-13-6-8-15(9-7-13)18-10-11-19-15/h2-5,13H,6-11H2,1H3
InChIKey
OWOKCUXVMOFUSP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
76.34
TPSA
61.83
LogP / Solubility
WLOGP
2.39
MLOGP
2.11
XLogP3
2.3
Consensus LogP
2.27
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.84
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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