![CAS 1353998-32-9 (S)-1-[1-(3-Fluoro-benzyl)-1H-benzoiMidazol-2-yl]-pyrrolidin-3-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62575593(1).gif)
CAS RN: 1353998-32-9
(S)-1-[1-(3-Fluoro-benzyl)-1H-benzoiMidazol-2-yl]-pyrrolidin-3-ol
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.20251126 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353998-32-9
- Purity/Analytical Methods: >99.0%
1353998-32-9 / (3S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-3-ol
Basic Information
CAS
1353998-32-9
Multi CAS
No
Molecular Formula
C18H18FN3O
Molecular Weight
311.400000
Exact Mass
311.143390
SMILES
C1CN(C[C@H]1O)C2=NC3=CC=CC=C3N2CC4=CC(=CC=C4)F
InChI
InChI=1S/C18H18FN3O/c19-14-5-3-4-13(10-14)11-22-17-7-2-1-6-16(17)20-18(22)21-9-8-15(23)12-21/h1-7,10,15,23H,8-9,11-12H2/t15-/m0/s1
InChIKey
BBUBERKYDYSJPD-HNNXBMFYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
15
Fraction Csp3
0.28
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
88.07
TPSA
41.29
LogP / Solubility
WLOGP
2.79
MLOGP
2.47
XLogP3
3.1
Consensus LogP
2.79
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.13
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
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
No
Log Kp (skin permeation)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
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