CAS RN: 19684-04-9
(R)-methyl 5-oxotetrahydrofuran-2-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251028 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS19684-04-9
- Purity/Analytical Methods: >99.0%
19684-04-9 / methyl (2R)-5-oxooxolane-2-carboxylate
Basic Information
CAS
19684-04-9
Multi CAS
No
Molecular Formula
C6H8O4
Molecular Weight
144.120000
Exact Mass
144.042259
SMILES
COC(=O)[C@H]1CCC(=O)O1
InChI
InChI=1S/C6H8O4/c1-9-6(8)4-2-3-5(7)10-4/h4H,2-3H2,1H3/t4-/m1/s1
InChIKey
AFHPZLNLFDYSTG-SCSAIBSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
31.13
TPSA
52.6
LogP / Solubility
WLOGP
-0.14
MLOGP
-0.13
XLogP3
0.1
Consensus LogP
-0.06
Log S (ESOL)
-0.58
Class (ESOL)
Very soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.6
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)
-3.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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