![CAS 74286-87-6 8-(BroMoMethyl)-1,4-dioxaspiro[4.5]decane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/74286-87-6.gif)
CAS RN: 74286-87-6
8-(BroMoMethyl)-1,4-dioxaspiro[4.5]decane
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.20260320 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS74286-87-6
- Purity/Analytical Methods: >99.0%
74286-87-6 / 8-(bromomethyl)-1,4-dioxaspiro[4.5]decane
Basic Information
CAS
74286-87-6
Multi CAS
No
Molecular Formula
C9H15BRO2
Molecular Weight
235.120000
Exact Mass
234.025540
InChI
InChI=1S/C9H15BrO2/c10-7-8-1-3-9(4-2-8)11-5-6-12-9/h8H,1-7H2
InChIKey
ILYCFBCRGRUHEX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
50.39
TPSA
18.46
LogP / Solubility
WLOGP
2.31
MLOGP
2.04
XLogP3
1.9
Consensus LogP
2.08
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
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)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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