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CAS 1172087-81-8 10-Bromo-10′-(2-naphthyl)-9,9′-bianthracene molecular structure lightbox
CAS RN: 1172087-81-8

10-Bromo-10′-(2-naphthyl)-9,9′-bianthracene

Product Availability

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6 package records3 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250722 1g In stock Inquiry
Batchno.20250405 250mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250801 50mg / 200mg / 1g Confirm by inquiry Shanghai 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250527 100mg Out of stock Inquiry
Batchno.20250403 1g Out of stock Inquiry
Batchno.20251220 250mg Out of stock Inquiry
  • Product code: SSC-017091
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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: ≥98%
  • 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 1172087-81-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

1172087-81-8 / 9-bromo-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene

10-Bromo-10'-(2-naphthyl)-9,9'-bianthracene | 9,9'-Bianthracene, 10-broMo-10'-(2-naphthalenyl)- | 10-bromo-10'-(naphthalen-2-yl)-9,9'-bianthracene

Standard CAS: 1172087-81-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1172087-81-8
Multi CAS
No
Molecular Formula
C38H23Br
Molecular Weight
559.500000
Exact Mass
558.098310
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=C7C=CC=CC7=C(C8=CC=CC=C86)Br
InChI
InChI=1S/C38H23Br/c39-38-33-19-9-7-17-31(33)37(32-18-8-10-20-34(32)38)36-29-15-5-3-13-27(29)35(28-14-4-6-16-30(28)36)26-22-21-24-11-1-2-12-25(24)23-26/h1-23H
InChIKey
OUMDUWOVDLPNDY-UHFFFAOYSA-N
Synonyms
10-Bromo-10'-(2-naphthyl)-9,9'-bianthracene 9,9'-Bianthracene, 10-broMo-10'-(2-naphthalenyl)- 10-bromo-10'-(naphthalen-2-yl)-9,9'-bianthracene MFCD22987563 9-bromo-10-(10-naphthalen-2-ylanthracen-9-yl)anthracene

Computed Properties

Structural Parameters

Heavy atom count
39
Aromatic heavy atom count
38
Rotatable bonds
2
Molar refractivity
172.54
TPSA
0.0000

LogP / Solubility

WLOGP
11.55
MLOGP
10.21
XLogP3
12.1
Consensus LogP
11.29
Log S (ESOL)
-11.17
Class (ESOL)
Insoluble
Log S (Ali)
-12.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.12
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)
2.07

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
6.5

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