CAS RN: 387845-21-8
ETHYL 2-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)CYCLOPROPANE-1-CARBOXYLATE
- Product code: starshine_CAS387845-21-8
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 |
387845-21-8 / ethyl 2-(oxan-2-yloxy)cyclopropane-1-carboxylate
Basic Information
CAS
387845-21-8
Multi CAS
No
Molecular Formula
C11H18O4
Molecular Weight
214.260000
Exact Mass
214.120509
InChI
InChI=1S/C11H18O4/c1-2-13-11(12)8-7-9(8)15-10-5-3-4-6-14-10/h8-10H,2-7H2,1H3
InChIKey
VELXZWJQALABFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.91
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
53.2
TPSA
44.76
LogP / Solubility
WLOGP
1.48
MLOGP
1.31
XLogP3
1.4
Consensus LogP
1.4
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.76
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)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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