CAS RN: 1333319-61-1
ethyl 4-hydroxytetrahydrofuran-2-carboxylate
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock1 grade group
- Product code: SSC-040023
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: >97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
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1333319-61-1 / ethyl 4-hydroxyoxolane-2-carboxylate
Basic Information
CAS
1333319-61-1
Multi CAS
No
Molecular Formula
C7H12O4
Molecular Weight
160.170000
Exact Mass
160.073559
SMILES
CCOC(=O)C1CC(CO1)O
InChI
InChI=1S/C7H12O4/c1-2-10-7(9)6-3-5(8)4-11-6/h5-6,8H,2-4H2,1H3
InChIKey
LJHQHOJRAMOKGV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
37
TPSA
55.76
LogP / Solubility
WLOGP
-0.3
MLOGP
-0.27
XLogP3
-0.1
Consensus LogP
-0.22
Log S (ESOL)
-0.51
Class (ESOL)
Very soluble
Log S (Ali)
-0.66
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
Class (SILICOS-IT)
Very 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)
-3.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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