CAS RN: 2358783-64-7
Vonoprazan Impuirty 84
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.20260602 | 25mg / 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Shandong | 8-10 business days | Inquiry |
- Product code: starshine_CAS2358783-64-7
- Purity/Analytical Methods: >99.0%
2358783-64-7 / 5-chloropyridine-3-sulfonic acid
Basic Information
CAS
2358783-64-7
Multi CAS
No
Molecular Formula
C5H4ClNO3S
Molecular Weight
193.610000
Exact Mass
192.960042
SMILES
C1=C(C=NC=C1Cl)S(=O)(=O)O
InChI
InChI=1S/C5H4ClNO3S/c6-4-1-5(3-7-2-4)11(8,9)10/h1-3H,(H,8,9,10)
InChIKey
IMLKWCSVQVETBH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.06
TPSA
67.26
LogP / Solubility
WLOGP
0.98
MLOGP
0.86
XLogP3
0.2
Consensus LogP
0.68
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.85
Class (SILICOS-IT)
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)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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