![CAS 469861-49-2 N-[1-(2-Phenylethyl)-1H-benzimidazol-2-yl]-benzamide monomethanesulfonate (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/469861-49-2.gif)
CAS RN: 469861-49-2
N-[1-(2-Phenylethyl)-1H-benzimidazol-2-yl]-benzamide monomethanesulfonate (9CI)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250826 | 5mg / 25mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS469861-49-2
- Purity/Analytical Methods: >99.0%
469861-49-2 / methanesulfonic acid;N-[1-(2-phenylethyl)benzimidazol-2-yl]benzamide
Basic Information
CAS
469861-49-2
Multi CAS
Yes
Molecular Formula
C23H23N3O4S
Molecular Weight
437.500000
Exact Mass
437.140927
InChI
InChI=1S/C22H19N3O.CH4O3S/c26-21(18-11-5-2-6-12-18)24-22-23-19-13-7-8-14-20(19)25(22)16-15-17-9-3-1-4-10-17;1-5(2,3)4/h1-14H,15-16H2,(H,23,24,26);1H3,(H,2,3,4)
InChIKey
AVYFZOKRFCFQLP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
21
Fraction Csp3
0.13
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
121.75
TPSA
101.29
LogP / Solubility
WLOGP
4.04
MLOGP
3.58
XLogP3
4.04
Consensus LogP
3.89
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.06
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.45
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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