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CAS 478706-06-8 9-n-Octyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole molecular structure lightbox
CAS RN: 478706-06-8

9-n-Octyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

Product Availability

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250130 100mg In stock Shanghai Inquiry
Batchno.20250101 1g In stock Shanghai Inquiry
Batchno.20260201 250mg In stock Shanghai Inquiry
Batchno.20250917 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250622 200mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-154823
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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: ＞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 478706-06-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

478706-06-8 / 9-octyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

Standard CAS: 478706-06-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
478706-06-8
Multi CAS
No
Molecular Formula
B2C32H47NO4
Molecular Weight
531.300000
Exact Mass
531.369119
InChI
InChI=1S/C32H47B2NO4/c1-10-11-12-13-14-15-20-35-27-18-16-23(33-36-29(2,3)30(4,5)37-33)21-25(27)26-22-24(17-19-28(26)35)34-38-31(6,7)32(8,9)39-34/h16-19,21-22H,10-15,20H2,1-9H3
InChIKey
VWWIAQNEZFWMFK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
13
Fraction Csp3
0.62
Rotatable bonds
9
H-bond acceptors
5
Molar refractivity
164.25
TPSA
41.85

LogP / Solubility

WLOGP
6.75
MLOGP
5.98
XLogP3
6.75
Consensus LogP
6.49
Log S (ESOL)
-7.04
Class (ESOL)
Insoluble
Log S (Ali)
-8.79
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.8
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)
-1.17

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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