![CAS 144702-27-2 propyl[2,6′-bi-1H-benzimidazol]-1′-yl]methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/144702-27-2.gif)
CAS RN: 144702-27-2
propyl[2,6′-bi-1H-benzimidazol]-1′-yl]methyl]-
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.20250630 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS144702-27-2
- Purity/Analytical Methods: >99.0%
144702-27-2 / 2-[4-[[4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazol-1-yl]methyl]phenyl]benzonitrile
Basic Information
CAS
144702-27-2
Multi CAS
No
Molecular Formula
C33H29N5
Molecular Weight
495.600000
Exact Mass
495.242296
SMILES
CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C#N)C=C(C=C2C)C5=NC6=CC=CC=C6N5C
InChI
InChI=1S/C33H29N5/c1-4-9-31-36-32-22(2)18-26(33-35-28-12-7-8-13-29(28)37(33)3)19-30(32)38(31)21-23-14-16-24(17-15-23)27-11-6-5-10-25(27)20-34/h5-8,10-19H,4,9,21H2,1-3H3
InChIKey
XIEVZYAEXURSHX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
30
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
5
Molar refractivity
153.87
TPSA
59.43
LogP / Solubility
WLOGP
7.44
MLOGP
6.58
XLogP3
7.1
Consensus LogP
7.04
Log S (ESOL)
-7.79
Class (ESOL)
Insoluble
Log S (Ali)
-8.99
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.78
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.
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