CAS RN: 108124-75-0
6-(beta-D-glucopyranosyloxy)-Salicylic acid Methyl ester
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.20260307 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS108124-75-0
- Purity/Analytical Methods: >99.0%
108124-75-0 / methyl 2-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
Methyl 6-glucosyloxysalicylate | Salicylic acid, 6-(beta-D-glucopyranosyloxy)-, methyl ester | AKOS032948146
Basic Information
CAS
108124-75-0
Multi CAS
Yes
Molecular Formula
C14H18O9
Molecular Weight
330.290000
Exact Mass
330.095082
SMILES
COC(=O)C1=C(C=CC=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O
InChI
InChI=1S/C14H18O9/c1-21-13(20)9-6(16)3-2-4-7(9)22-14-12(19)11(18)10(17)8(5-15)23-14/h2-4,8,10-12,14-19H,5H2,1H3/t8-,10-,11+,12-,14-/m1/s1
InChIKey
TWLFBAOUJJRVBT-RRZLQCMWSA-N
Synonyms
Methyl 6-glucosyloxysalicylate
Salicylic acid, 6-(beta-D-glucopyranosyloxy)-, methyl ester
AKOS032948146
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
5
Molar refractivity
73.84
TPSA
145.91
LogP / Solubility
WLOGP
-1.64
MLOGP
-1.43
XLogP3
-0.8
Consensus LogP
-1.29
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.92
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)
-5.9
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5
Customers Also Viewed
-
-
4-AMino-1,2-dihydroisoquinolin-1-one hydrochloride
- CAS RN: 108127-91-9
- Product Code: SSC-009381
-
-
Methyl H-pyrrolo[1,2-b]pyridazine-6-carboxylate
- CAS RN: 108128-21-8
- Product Code: SSC-009384
-
6-Benzothiazolecarboxylicacid,2-amino-5-hydroxy-,methylester(6CI)
- CAS RN: 108128-42-3
- Product Code: SSC-009385
-
4-Chloro-N,N-diethyl-1-butanamine Hydrochloride
- CAS RN: 108130-45-6
- Product Code: SSC-009388
![CAS 108128-21-8 Methyl H-pyrrolo[1,2-b]pyridazine-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/108128-21-8.gif)
