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CAS 1245649-58-4 6-Bromo-1-(tetrahydro-2H-pyran-4-yl)-1H-benzimidazole molecular structure lightbox
CAS RN: 1245649-58-4

6-Bromo-1-(tetrahydro-2H-pyran-4-yl)-1H-benzimidazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251010 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-028490
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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: 5g
  • 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 1245649-58-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

1245649-58-4 / 6-bromo-1-(oxan-4-yl)benzimidazole

Standard CAS: 1245649-58-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1245649-58-4
Multi CAS
No
Molecular Formula
C12H13BrN2O
Molecular Weight
281.150000
Exact Mass
280.021130
SMILES
C1COCCC1N2C=NC3=C2C=C(C=C3)Br
InChI
InChI=1S/C12H13BrN2O/c13-9-1-2-11-12(7-9)15(8-14-11)10-3-5-16-6-4-10/h1-2,7-8,10H,3-6H2
InChIKey
FFOAWGHMBUULGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.42
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
66.52
TPSA
27.05

LogP / Solubility

WLOGP
3.15
MLOGP
2.78
XLogP3
2.4
Consensus LogP
2.78
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.22
Class (SILICOS-IT)
Slightly 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)
-2.2

Drug-likeness / Medicinal Chemistry

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

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