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CAS 1231930-33-8 6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole molecular structure lightbox
CAS RN: 1231930-33-8

6-Bromo-4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazole

  • Product code: SSC-026819
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g, 5g, 10g, 25g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1231930-33-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry
10g ≥95% 0 Out of Stock Shenzhen Inquiry
25g ≥95% 0 Out of Stock Shenzhen Inquiry

1231930-33-8 / 6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole

Standard CAS: 1231930-33-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1231930-33-8
Multi CAS
No
Molecular Formula
C11H12BrFN2
Molecular Weight
271.130000
Exact Mass
270.016790
SMILES
CC1=NC2=C(N1C(C)C)C=C(C=C2F)Br
InChI
InChI=1S/C11H12BrFN2/c1-6(2)15-7(3)14-11-9(13)4-8(12)5-10(11)15/h4-6H,1-3H3
InChIKey
SJQZRZLUEGCXFN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
62.51
TPSA
17.82

LogP / Solubility

WLOGP
3.83
MLOGP
3.38
XLogP3
3.3
Consensus LogP
3.5
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
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)
-1.66

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

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