CAS RN: 15965-55-6
1H-Benzimidazole,2-chloro-4-nitro-(9CI)
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.20250309 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS15965-55-6
- Purity/Analytical Methods: >99.0%
15965-55-6 / 2-chloro-4-nitro-1H-benzimidazole
Basic Information
CAS
15965-55-6
Multi CAS
No
Molecular Formula
C7H4ClN3O2
Molecular Weight
197.580000
Exact Mass
196.999204
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])N=C(N2)Cl
InChI
InChI=1S/C7H4ClN3O2/c8-7-9-4-2-1-3-5(11(12)13)6(4)10-7/h1-3H,(H,9,10)
InChIKey
IDHWSFVCVDTHNI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.76
TPSA
71.82
LogP / Solubility
WLOGP
2.12
MLOGP
1.87
XLogP3
2.3
Consensus LogP
2.1
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
-
2H-Benzimidazol-2-one,6-chloro-1,3-dihydro-1-methyl-(9CI)
- CAS RN: 15965-72-7
- Product Code: starshine_CAS15965-72-7
- Purity/Analytical method: >99.0%
-
-
-
