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CAS 1169709-19-6 2-Phenyl-1-[4-(4,4,5,5-tetraMethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-1H-benzoiMidazole molecular structure lightbox
CAS RN: 1169709-19-6

2-Phenyl-1-[4-(4,4,5,5-tetraMethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-1H-benzoiMidazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260527 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-016788
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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
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

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Recorded sizes, purity and stock details for CAS 1169709-19-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Beijing Inquiry

1169709-19-6 / 2-phenyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzimidazole

2-Phenyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-benzo[d]imidazole | 2-phenyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-benzo(d)imidazole | RefChem:477994

Standard CAS: 1169709-19-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1169709-19-6
Multi CAS
No
Molecular Formula
C25H25BN2O2
Molecular Weight
396.300000
Exact Mass
396.200908
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N3C4=CC=CC=C4N=C3C5=CC=CC=C5
InChI
InChI=1S/C25H25BN2O2/c1-24(2)25(3,4)30-26(29-24)19-14-16-20(17-15-19)28-22-13-9-8-12-21(22)27-23(28)18-10-6-5-7-11-18/h5-17H,1-4H3
InChIKey
VEERZEPSDURMPP-UHFFFAOYSA-N
Synonyms
2-Phenyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-benzo[d]imidazole 2-phenyl-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-1H-benzo(d)imidazole RefChem:477994 822-185-4 MFCD30802304

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
21
Fraction Csp3
0.24
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
122.22
TPSA
36.28

LogP / Solubility

WLOGP
4.99
MLOGP
4.42
XLogP3
4.99
Consensus LogP
4.8
Log S (ESOL)
-5.76
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.74
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-1.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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