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CAS RN: 1353966-61-6
1-(4-Fluoro-benzyl)-2-(pyrrolidin-3-ylMethoxy)-1H-benzoiMidazole hydrochloride
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.20250623 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353966-61-6
- Purity/Analytical Methods: >99.0%
1353966-61-6 / 1-[(4-fluorophenyl)methyl]-2-(pyrrolidin-3-ylmethoxy)benzimidazole;hydrochloride
Basic Information
CAS
1353966-61-6
Multi CAS
No
Molecular Formula
C19H21ClFN3O
Molecular Weight
361.800000
Exact Mass
361.135718
SMILES
C1CNCC1COC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F.Cl
InChI
InChI=1S/C19H20FN3O.ClH/c20-16-7-5-14(6-8-16)12-23-18-4-2-1-3-17(18)22-19(23)24-13-15-9-10-21-11-15;/h1-8,15,21H,9-13H2;1H
InChIKey
PJYRTQWSHCGTHM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
98.95
TPSA
39.08
LogP / Solubility
WLOGP
3.63
MLOGP
3.22
XLogP3
3.63
Consensus LogP
3.49
Log S (ESOL)
-4.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.63
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
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![CAS 1353966-92-3 [1-(6-Methoxy-2-Methylsulfanyl-pyriMidin-4-yl)-piperidin-3-yl]-Methyl-carbaMic acid tert-butyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB92577442(1).gif)
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