![CAS 1261268-99-8 N-[4-(5-cyclopropanecarboxaMido-1H-benziMidazol-2-yl)phenyl]benzaMide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1261268-99-8.gif)
CAS RN: 1261268-99-8
N-[4-(5-cyclopropanecarboxaMido-1H-benziMidazol-2-yl)phenyl]benzaMide
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.20251113 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-032431
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 0.25g, 0.1g
- Available purity: >95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
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1261268-99-8 / N-[4-[6-(cyclopropanecarbonylamino)-1H-benzimidazol-2-yl]phenyl]benzamide
Basic Information
CAS
1261268-99-8
Multi CAS
No
Molecular Formula
C24H20N4O2
Molecular Weight
396.400000
Exact Mass
396.158626
SMILES
C1CC1C(=O)NC2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5
InChI
InChI=1S/C24H20N4O2/c29-23(16-4-2-1-3-5-16)25-18-10-8-15(9-11-18)22-27-20-13-12-19(14-21(20)28-22)26-24(30)17-6-7-17/h1-5,8-14,17H,6-7H2,(H,25,29)(H,26,30)(H,27,28)
InChIKey
LMROEKCUDPNHDU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
21
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
117.28
TPSA
86.88
LogP / Solubility
WLOGP
4.83
MLOGP
4.27
XLogP3
3.6
Consensus LogP
4.23
Log S (ESOL)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.85
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)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
