CAS RN: 5382-77-4
diethyl tetrahydropyran-4,4-dicarboxylate
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251017 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND927254
5382-77-4 / diethyl oxane-4,4-dicarboxylate
Basic Information
CAS
5382-77-4
Multi CAS
Yes
Molecular Formula
C11H18O5
Molecular Weight
230.260000
Exact Mass
230.115424
InChI
InChI=1S/C11H18O5/c1-3-15-9(12)11(10(13)16-4-2)5-7-14-8-6-11/h3-8H2,1-2H3
InChIKey
ILUMJWCFQOFDMA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.82
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
55.75
TPSA
61.83
LogP / Solubility
WLOGP
0.91
MLOGP
0.8
XLogP3
1.1
Consensus LogP
0.94
Log S (ESOL)
-1.58
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
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)
-3.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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