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: >95%
- 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.
58534-88-6 / 5-(hydroxymethyl)oxolan-3-ol
Basic Information
CAS
58534-88-6
Multi CAS
No
Molecular Formula
C5H10O3
Molecular Weight
118.130000
Exact Mass
118.062994
InChI
InChI=1S/C5H10O3/c6-2-5-1-4(7)3-8-5/h4-7H,1-3H2
InChIKey
WDMXOLOBWMBITN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
27.45
TPSA
49.69
LogP / Solubility
WLOGP
-0.87
MLOGP
-0.78
XLogP3
-1
Consensus LogP
-0.88
Log S (ESOL)
0.04
Class (ESOL)
Highly soluble
Log S (Ali)
0.1
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.18
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-4.06
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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- CAS RN: 58536-45-1
- Product Code: starshine_CAS58536-45-1
- Purity/Analytical method: >99.0%
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