![CAS 125962-61-0 8-(4-BROMOPHENYL)-1,4-DIOXASPIRO[4,5]DECANE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/125962-61-0.gif)
CAS RN: 125962-61-0
8-(4-BROMOPHENYL)-1,4-DIOXASPIRO[4,5]DECANE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-031346
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: 1g
- Available purity: ＞97%
- 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
125962-61-0 / 8-(4-bromophenyl)-1,4-dioxaspiro[4.5]decane
Basic Information
CAS
125962-61-0
Multi CAS
No
Molecular Formula
C14H17BrO2
Molecular Weight
297.190000
Exact Mass
296.041190
SMILES
C1CC2(CCC1C3=CC=C(C=C3)Br)OCCO2
InChI
InChI=1S/C14H17BrO2/c15-13-3-1-11(2-4-13)12-5-7-14(8-6-12)16-9-10-17-14/h1-4,12H,5-10H2
InChIKey
HOTMLVRRXAEMKZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
69.99
TPSA
18.46
LogP / Solubility
WLOGP
3.85
MLOGP
3.4
XLogP3
3.3
Consensus LogP
3.52
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly 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)
-1.8
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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