![CAS 882977-63-1 1-(5,6-Dichloro-1H-benzo[d]iMidazol-2-yl)ethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/882977-63-1.gif)
CAS RN: 882977-63-1
1-(5,6-Dichloro-1H-benzo[d]iMidazol-2-yl)ethanone
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251003 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS882977-63-1
- Purity/Analytical Methods: >99.0%
882977-63-1 / 1-(5,6-dichloro-1H-benzimidazol-2-yl)ethanone
Basic Information
CAS
882977-63-1
Multi CAS
No
Molecular Formula
C9H6CL2N2O
Molecular Weight
229.060000
Exact Mass
227.985718
InChI
InChI=1S/C9H6Cl2N2O/c1-4(14)9-12-7-2-5(10)6(11)3-8(7)13-9/h2-3H,1H3,(H,12,13)
InChIKey
BTTRNRCDFHANCP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.12
TPSA
45.75
LogP / Solubility
WLOGP
3.07
MLOGP
2.71
XLogP3
2.8
Consensus LogP
2.86
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.66
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.94
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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