![CAS 1231930-36-1 6-bromo-1-cyclopentyl-4-fluoro-2-methyl-1H-benzo[d]imidazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1231930-36-1.gif)
CAS RN: 1231930-36-1
6-bromo-1-cyclopentyl-4-fluoro-2-methyl-1H-benzo[d]imidazole
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.20260410 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1231930-36-1
- Purity/Analytical Methods: >99.0%
1231930-36-1 / 6-bromo-1-cyclopentyl-4-fluoro-2-methylbenzimidazole
Basic Information
CAS
1231930-36-1
Multi CAS
No
Molecular Formula
C13H14BrFN2
Molecular Weight
297.170000
Exact Mass
296.032440
SMILES
CC1=NC2=C(N1C3CCCC3)C=C(C=C2F)Br
InChI
InChI=1S/C13H14BrFN2/c1-8-16-13-11(15)6-9(14)7-12(13)17(8)10-4-2-3-5-10/h6-7,10H,2-5H2,1H3
InChIKey
XVDWZIXZMYBLBR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
69.63
TPSA
17.82
LogP / Solubility
WLOGP
4.36
MLOGP
3.85
XLogP3
3.8
Consensus LogP
4
Log S (ESOL)
-4.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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