![CAS 1491-12-9 Spiro[bicyclo[2.2.1]hept-2-ene-7,2-[1,3]dioxolane] molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1491-12-9.gif)
CAS RN: 1491-12-9
Spiro[bicyclo[2.2.1]hept-2-ene-7,2-[1,3]dioxolane]
- Product code: SSC-059186
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: ≥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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1491-12-9 / spiro[1,3-dioxolane-2,7'-bicyclo[2.2.1]hept-2-ene]
Basic Information
CAS
1491-12-9
Multi CAS
No
Molecular Formula
C9H12O2
Molecular Weight
152.190000
Exact Mass
152.083730
SMILES
C1CC2C=CC1C23OCCO3
InChI
InChI=1S/C9H12O2/c1-2-8-4-3-7(1)9(8)10-5-6-11-9/h1-2,7-8H,3-6H2
InChIKey
GGMOMOBCKQPRBS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.78
H-bond acceptors
2
Molar refractivity
39.99
TPSA
18.46
LogP / Solubility
WLOGP
1.33
MLOGP
1.16
XLogP3
0.9
Consensus LogP
1.13
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
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)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
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PATULIN
- CAS RN: 149-29-1
- Product Code: starshine_CAS149-29-1
- Purity/Analytical method: >99.0%
