CAS RN: 39791-97-4
1H-Benzimidazole,2-chloro-1,5,6-trimethyl-(9CI)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250105 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS39791-97-4
- Purity/Analytical Methods: >99.0%
39791-97-4 / 2-chloro-1,5,6-trimethylbenzimidazole
Basic Information
CAS
39791-97-4
Multi CAS
No
Molecular Formula
C10H11CLN2
Molecular Weight
194.660000
Exact Mass
194.061076
InChI
InChI=1S/C10H11ClN2/c1-6-4-8-9(5-7(6)2)13(3)10(11)12-8/h4-5H,1-3H3
InChIKey
ZQNHOCWHDDHEMX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
9
Fraction Csp3
0.3
H-bond acceptors
2
Molar refractivity
55.2
TPSA
17.82
LogP / Solubility
WLOGP
2.84
MLOGP
2.5
XLogP3
3.1
Consensus LogP
2.81
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.29
Class (SILICOS-IT)
Poorly 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)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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