CAS RN: 58871-11-7
4-O-BENZYL-D-GLUCAL
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250115 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS58871-11-7
- Purity/Analytical Methods: >99.0%
58871-11-7 / (2R,3S,4R)-2-(hydroxymethyl)-3-phenylmethoxy-3,4-dihydro-2H-pyran-4-ol
Basic Information
CAS
58871-11-7
Multi CAS
Yes
Molecular Formula
C13H16O4
Molecular Weight
236.260000
Exact Mass
236.104859
InChI
InChI=1S/C13H16O4/c14-8-12-13(11(15)6-7-16-12)17-9-10-4-2-1-3-5-10/h1-7,11-15H,8-9H2/t11-,12-,13+/m1/s1
InChIKey
OIWQZGBSQDJVJN-UPJWGTAASA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.12
TPSA
58.92
LogP / Solubility
WLOGP
0.84
MLOGP
0.74
XLogP3
0.5
Consensus LogP
0.69
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.1
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-3.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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