CAS RN: 1198768-91-0
EsoMeprazole (MagnesiuM salt)
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.20250515 | 5mg / 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1198768-91-0
- Purity/Analytical Methods: >99.0%
1198768-91-0 / EsoMeprazole (MagnesiuM salt)
SCHEMBL589807 | orb1688568
Basic Information
CAS
1198768-91-0
Multi CAS
Yes
Molecular Formula
C17H19MgN3O3S
Molecular Weight
369.700000
Exact Mass
369.099754
SMILES
CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)OC.[Mg]
InChI
InChI=1S/C17H19N3O3S.Mg/c1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17;/h5-8H,9H2,1-4H3,(H,19,20);/t24-;/m0./s1
InChIKey
MQEUGMWHWPYFDD-JIDHJSLPSA-N
Synonyms
SCHEMBL589807
orb1688568
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
98.78
TPSA
77.1
LogP / Solubility
WLOGP
2.52
MLOGP
2.24
XLogP3
2.52
Consensus LogP
2.43
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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![CAS 1198791-45-5 (S)-2-(2′-(Diphenylphosphanyl)-[1,1′-biphenyl]-2-yl)-4-phenyl-4,5-dihydrooxazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1198791-45-5.gif)
