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CAS 1352040-89-1 9,9′-Bis([1,1′-biphenyl]-3-yl)-3,3′-bi-9H-carbazole molecular structure lightbox
CAS RN: 1352040-89-1

9,9′-Bis([1,1′-biphenyl]-3-yl)-3,3′-bi-9H-carbazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250906 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-043157
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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 1352040-89-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1352040-89-1 / 9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole

Standard CAS: 1352040-89-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1352040-89-1
Multi CAS
No
Molecular Formula
C48H32N2
Molecular Weight
636.800000
Exact Mass
636.256549
SMILES
C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC(=C8)C9=CC=CC=C9)C1=CC=CC=C13
InChI
InChI=1S/C48H32N2/c1-3-13-33(14-4-1)35-17-11-19-39(29-35)49-45-23-9-7-21-41(45)43-31-37(25-27-47(43)49)38-26-28-48-44(32-38)42-22-8-10-24-46(42)50(48)40-20-12-18-36(30-40)34-15-5-2-6-16-34/h1-32H
InChIKey
RQTORZWIAZFXNZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
50
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
211.43
TPSA
9.86

LogP / Solubility

WLOGP
12.88
MLOGP
11.39
XLogP3
13
Consensus LogP
12.42
Log S (ESOL)
-12.31
Class (ESOL)
Insoluble
Log S (Ali)
-14.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.09
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)
2.54

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7.5

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