CAS RN: 301669-82-9
4-Hydroxy Omeprazole
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.20260103 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS301669-82-9
- Purity/Analytical Methods: >99.0%
301669-82-9 / 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-3,5-dimethyl-1H-pyridin-4-one
Basic Information
CAS
301669-82-9
Multi CAS
No
Molecular Formula
C16H17N3O3S
Molecular Weight
331.400000
Exact Mass
331.099063
InChI
InChI=1S/C16H17N3O3S/c1-9-7-17-14(10(2)15(9)20)8-23(21)16-18-12-5-4-11(22-3)6-13(12)19-16/h4-7H,8H2,1-3H3,(H,17,20)(H,18,19)
InChIKey
VSOAYQZFYNZNKR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
89.29
TPSA
87.84
LogP / Solubility
WLOGP
2.18
MLOGP
1.94
XLogP3
1.5
Consensus LogP
1.87
Log S (ESOL)
-3.49
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.85
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.11
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
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
Yes
Synthetic Accessibility
3
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