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CAS 448955-87-1 9-(2-Ethylhexyl)-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole molecular structure lightbox
CAS RN: 448955-87-1

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

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260429 100mg / 250mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250412 100mg In stock Shanghai Inquiry
Batchno.20260112 1g In stock Shanghai Inquiry
Batchno.20250423 250mg In stock Shanghai Inquiry
  • Product code: SSC-152812
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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 448955-87-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

448955-87-1 / 9-(2-ethylhexyl)-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

Standard CAS: 448955-87-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
448955-87-1
Multi CAS
No
Molecular Formula
B2C32H47NO4
Molecular Weight
531.300000
Exact Mass
531.369119
InChI
InChI=1S/C32H47B2NO4/c1-11-13-14-22(12-2)21-35-27-17-15-23(33-36-29(3,4)30(5,6)37-33)19-25(27)26-20-24(16-18-28(26)35)34-38-31(7,8)32(9,10)39-34/h15-20,22H,11-14,21H2,1-10H3
InChIKey
GSIDPIRTFOJNFV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
13
Fraction Csp3
0.62
Rotatable bonds
8
H-bond acceptors
5
Molar refractivity
164.18
TPSA
41.85

LogP / Solubility

WLOGP
6.61
MLOGP
5.86
XLogP3
6.61
Consensus LogP
6.36
Log S (ESOL)
-7.02
Class (ESOL)
Insoluble
Log S (Ali)
-8.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.56
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)
-1.27

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
5.5

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