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CAS 1391729-66-0 9-([1,1′-Biphenyl]-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole molecular structure lightbox
CAS RN: 1391729-66-0

9-([1,1′-Biphenyl]-4-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole

Product Availability

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6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251001 5g / 10g / 25g / 100g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251105 100g In stock Shenzhen Inquiry
Batchno.20250105 10g In stock Shenzhen Inquiry
Batchno.20250427 1g In stock Shenzhen, Tianjin Inquiry
Batchno.20250524 25g In stock Shenzhen Inquiry
Batchno.20260115 5g In stock Shanghai Inquiry
  • Product code: SSC-049553
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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: 10g
  • 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 1391729-66-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ＞97% 0 Out of Stock Beijing Inquiry

1391729-66-0 / 9-(4-phenylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

Standard CAS: 1391729-66-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1391729-66-0
Multi CAS
No
Molecular Formula
C30H28BNO2
Molecular Weight
445.400000
Exact Mass
445.221309
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C4=CC=CC=C43)C5=CC=C(C=C5)C6=CC=CC=C6
InChI
InChI=1S/C30H28BNO2/c1-29(2)30(3,4)34-31(33-29)23-16-19-28-26(20-23)25-12-8-9-13-27(25)32(28)24-17-14-22(15-18-24)21-10-6-5-7-11-21/h5-20H,1-4H3
InChIKey
ZQVXGZDSERJQTC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
25
Fraction Csp3
0.2
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
141.93
TPSA
23.39

LogP / Solubility

WLOGP
6.75
MLOGP
5.97
XLogP3
6.75
Consensus LogP
6.49
Log S (ESOL)
-7.2
Class (ESOL)
Insoluble
Log S (Ali)
-8.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.52
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
-0.64

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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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