CAS RN: 502609-47-4
4-HydroxyMethyl-4-Methyltetrahydro-2H-pyran
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.20260509 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: SSC-156677
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
- Available purity: >97%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
502609-47-4 / (4-methyloxan-4-yl)methanol
Basic Information
CAS
502609-47-4
Multi CAS
No
Molecular Formula
C7H14O2
Molecular Weight
130.180000
Exact Mass
130.099380
InChI
InChI=1S/C7H14O2/c1-7(6-8)2-4-9-5-3-7/h8H,2-6H2,1H3
InChIKey
HKNGCILTDHGUEO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
35.25
TPSA
29.46
LogP / Solubility
WLOGP
0.8
MLOGP
0.69
XLogP3
0.5
Consensus LogP
0.66
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.2
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
Class (SILICOS-IT)
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)
-2.95
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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