[email protected]
CAS 936939-48-9 1H-BenziMidazole, 6-broMo-2-(trichloroMethyl)- molecular structure lightbox
CAS RN: 936939-48-9

1H-BenziMidazole, 6-broMo-2-(trichloroMethyl)-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251001 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS936939-48-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

936939-48-9 / 6-bromo-2-(trichloromethyl)-1H-benzimidazole

Standard CAS: 936939-48-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
936939-48-9
Multi CAS
No
Molecular Formula
C8H4BRCL3N2
Molecular Weight
314.400000
Exact Mass
311.862340
InChI
InChI=1S/C8H4BrCl3N2/c9-4-1-2-5-6(3-4)14-7(13-5)8(10,11)12/h1-3H,(H,13,14)
InChIKey
KUBDIEVHQXJMOV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.03
TPSA
28.68

LogP / Solubility

WLOGP
4.15
MLOGP
3.67
XLogP3
4.3
Consensus LogP
4.04
Log S (ESOL)
-4.88
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.15
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us