CAS RN: 202337-44-8
6-O-(p-Hydroxybenzoyl)glucose
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.20250223 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS202337-44-8
- Purity/Analytical Methods: >99.0%
202337-44-8 / [(2R,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexyl] 4-hydroxybenzoate
Basic Information
CAS
202337-44-8
Multi CAS
No
Molecular Formula
C13H16O8
Molecular Weight
300.260000
Exact Mass
300.084517
SMILES
C1=CC(=CC=C1C(=O)OC[C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O
InChI
InChI=1S/C13H16O8/c14-5-9(16)11(18)12(19)10(17)6-21-13(20)7-1-3-8(15)4-2-7/h1-5,9-12,15-19H,6H2/t9-,10+,11+,12+/m0/s1
InChIKey
HELXVRZEFXGLOR-IRCOFANPSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
5
Molar refractivity
68.48
TPSA
144.52
LogP / Solubility
WLOGP
-1.81
MLOGP
-1.58
XLogP3
-1.6
Consensus LogP
-1.66
Log S (ESOL)
-0.31
Class (ESOL)
Very soluble
Log S (Ali)
-0.72
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
4.5
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