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CAS 1345614-94-9 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-9-(p-tolyl)-9H-carbazole molecular structure lightbox
CAS RN: 1345614-94-9

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-9-(p-tolyl)-9H-carbazole

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250921 1g Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250116 200mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-042392
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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: ≥95%
  • 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 1345614-94-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1345614-94-9 / 9-(4-methylphenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole

Standard CAS: 1345614-94-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1345614-94-9
Multi CAS
No
Molecular Formula
C25H26BNO2
Molecular Weight
383.300000
Exact Mass
383.205659
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C4=CC=CC=C43)C5=CC=C(C=C5)C
InChI
InChI=1S/C25H26BNO2/c1-17-10-13-19(14-11-17)27-22-9-7-6-8-20(22)21-16-18(12-15-23(21)27)26-28-24(2,3)25(4,5)29-26/h6-16H,1-5H3
InChIKey
NNRXASAONFGWFE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
19
Fraction Csp3
0.28
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
121.23
TPSA
23.39

LogP / Solubility

WLOGP
5.39
MLOGP
4.77
XLogP3
5.39
Consensus LogP
5.18
Log S (ESOL)
-5.97
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.87
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)
-1.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
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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