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CAS 871696-12-7 9-Hexyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole molecular structure lightbox
CAS RN: 871696-12-7

9-Hexyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

Product Availability

Choose a grade to view its available package options.

8 package records8 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250202 1g In stock Inquiry
Batchno.20250204 250mg In stock Inquiry
Batchno.20250713 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251128 1g In stock Shanghai Inquiry
Batchno.20250412 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260108 25g In stock Shanghai Inquiry
Batchno.20250729 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251216 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-196807
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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: ＞97%
  • 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 871696-12-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

871696-12-7 / 9-hexyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

Standard CAS: 871696-12-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
871696-12-7
Multi CAS
Yes
Molecular Formula
B2C30H43NO4
Molecular Weight
503.300000
Exact Mass
503.337819
InChI
InChI=1S/C30H43B2NO4/c1-10-11-12-13-18-33-25-19-21(31-34-27(2,3)28(4,5)35-31)14-16-23(25)24-17-15-22(20-26(24)33)32-36-29(6,7)30(8,9)37-32/h14-17,19-20H,10-13,18H2,1-9H3
InChIKey
VUJPSYQJTJSPOI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
13
Fraction Csp3
0.6
Rotatable bonds
7
H-bond acceptors
5
Molar refractivity
155.02
TPSA
41.85

LogP / Solubility

WLOGP
5.97
MLOGP
5.29
XLogP3
5.97
Consensus LogP
5.74
Log S (ESOL)
-6.52
Class (ESOL)
Insoluble
Log S (Ali)
-8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.73
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.55

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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