CAS RN: 62812-42-4
Methyl (Phenyl 2,3,4-Tri-O-acetyl-1-thio-β-D-glucopyranosid)uronate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260517 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: ICTM1759
- Purity/Analytical Methods: >98.0%(HPLC)
62812-42-4 / methyl (2S,3S,4S,5R,6S)-3,4,5-triacetyloxy-6-phenylsulfanyloxane-2-carboxylate
Basic Information
CAS
62812-42-4
Multi CAS
Yes
Molecular Formula
C19H22O9S
Molecular Weight
426.400000
Exact Mass
426.098453
InChI
InChI=1S/C19H22O9S/c1-10(20)25-14-15(26-11(2)21)17(27-12(3)22)19(28-16(14)18(23)24-4)29-13-8-6-5-7-9-13/h5-9,14-17,19H,1-4H3/t14-,15-,16-,17+,19-/m0/s1
InChIKey
AXUXNCRKZCBMKR-CWLGOENISA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
6
H-bond acceptors
10
Molar refractivity
99.64
TPSA
114.43
LogP / Solubility
WLOGP
1.47
MLOGP
1.32
XLogP3
2
Consensus LogP
1.6
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-4.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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