![CAS 37942-79-3 Spiro[3.3]heptane-2,6-dicarboxylic acid, 2,6-dimethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/37942-79-3.gif)
CAS RN: 37942-79-3
Spiro[3.3]heptane-2,6-dicarboxylic acid, 2,6-dimethyl ester
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250805 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-145398
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 | Shanghai | Inquiry |
37942-79-3 / dimethyl spiro[3.3]heptane-2,6-dicarboxylate
Basic Information
CAS
37942-79-3
Multi CAS
Yes
Molecular Formula
C11H16O4
Molecular Weight
212.240000
Exact Mass
212.104859
InChI
InChI=1S/C11H16O4/c1-14-9(12)7-3-11(4-7)5-8(6-11)10(13)15-2/h7-8H,3-6H2,1-2H3
InChIKey
WDSRXUBJASECTM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
51.91
TPSA
52.6
LogP / Solubility
WLOGP
1.14
MLOGP
1
XLogP3
1
Consensus LogP
1.05
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-2.12
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.22
Class (SILICOS-IT)
Moderately 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)
-3.21
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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