CAS RN: 834914-37-3
Methyl 4-(hydroxyMethyl)tetrahydro-2H-pyran-4-carboxylat
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251021 | 250mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS834914-37-3
- Purity/Analytical Methods: >99.0%
834914-37-3 / methyl 4-(hydroxymethyl)oxane-4-carboxylate
Basic Information
CAS
834914-37-3
Multi CAS
Yes
Molecular Formula
C8H14O4
Molecular Weight
174.190000
Exact Mass
174.089209
InChI
InChI=1S/C8H14O4/c1-11-7(10)8(6-9)2-4-12-5-3-8/h9H,2-6H2,1H3
InChIKey
XQEOKSHYYARIRN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.59
TPSA
55.76
LogP / Solubility
WLOGP
-0.05
MLOGP
-0.05
XLogP3
-0.4
Consensus LogP
-0.17
Log S (ESOL)
-0.76
Class (ESOL)
Very soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.99
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)
-3.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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