CAS RN: 2115779-15-0
Pantoprazole EP IMpurity E
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250925 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2115779-15-0
- Purity/Analytical Methods: >99.0%
2115779-15-0 / 5-(difluoromethoxy)-6-[6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl]-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
Basic Information
CAS
2115779-15-0
Multi CAS
No
Molecular Formula
C32H28F4N6O8S2
Molecular Weight
764.700000
Exact Mass
764.134617
SMILES
COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C(=C3)OC(F)F)C4=CC5=C(C=C4OC(F)F)N=C(N5)S(=O)CC6=NC=CC(=C6OC)OC)OC
InChI
InChI=1S/C32H28F4N6O8S2/c1-45-23-5-7-37-21(27(23)47-3)13-51(43)31-39-17-9-15(25(49-29(33)34)11-19(17)41-31)16-10-18-20(12-26(16)50-30(35)36)42-32(40-18)52(44)14-22-28(48-4)24(46-2)6-8-38-22/h5-12,29-30H,13-14H2,1-4H3,(H,39,41)(H,40,42)
InChIKey
HTDAWOKDELVUAB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
52
Aromatic heavy atom count
30
Fraction Csp3
0.25
Rotatable bonds
15
H-bond acceptors
12
H-bond donors
2
Molar refractivity
179.35
TPSA
172.66
LogP / Solubility
WLOGP
5.75
MLOGP
5.13
XLogP3
4.4
Consensus LogP
5.09
Log S (ESOL)
-7.64
Class (ESOL)
Insoluble
Log S (Ali)
-9.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.2
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5
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