![CAS 77250-34-1 methyl 1,4-dioxaspiro[4.4]nonane-7-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/77250-34-1.gif)
CAS RN: 77250-34-1
methyl 1,4-dioxaspiro[4.4]nonane-7-carboxylate
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-186730
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: 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.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
77250-34-1 / methyl 1,4-dioxaspiro[4.4]nonane-8-carboxylate
Basic Information
CAS
77250-34-1
Multi CAS
Yes
Molecular Formula
C9H14O4
Molecular Weight
186.200000
Exact Mass
186.089209
InChI
InChI=1S/C9H14O4/c1-11-8(10)7-2-3-9(6-7)12-4-5-13-9/h7H,2-6H2,1H3
InChIKey
SHKWYHRBZOUPEB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
43.99
TPSA
44.76
LogP / Solubility
WLOGP
0.7
MLOGP
0.62
XLogP3
0.4
Consensus LogP
0.57
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-3.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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