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CAS 1187763-68-3 2,6-Dibromo-9,10-bis(4-tert-butylphenyl)anthracene molecular structure lightbox
CAS RN: 1187763-68-3

2,6-Dibromo-9,10-bis(4-tert-butylphenyl)anthracene

Product Availability

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3 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250505 1g In stock Inquiry
Batchno.20251218 250mg In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250702 200mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-018732
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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 1187763-68-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1187763-68-3 / 2,6-dibromo-9,10-bis(4-tert-butylphenyl)anthracene

2,6-Dibromo-9,10-Bis(4-tert-Butylphenyl)anthracene | 2,6-Dibromo-9,10-bis(4-(tert-butyl)phenyl)anthracene | MFCD26406214

Standard CAS: 1187763-68-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1187763-68-3
Multi CAS
No
Molecular Formula
C34H32Br2
Molecular Weight
600.400000
Exact Mass
600.085030
SMILES
CC(C)(C)C1=CC=C(C=C1)C2=C3C=C(C=CC3=C(C4=C2C=CC(=C4)Br)C5=CC=C(C=C5)C(C)(C)C)Br
InChI
InChI=1S/C34H32Br2/c1-33(2,3)23-11-7-21(8-12-23)31-27-17-15-26(36)20-30(27)32(28-18-16-25(35)19-29(28)31)22-9-13-24(14-10-22)34(4,5)6/h7-20H,1-6H3
InChIKey
PVNXKVGTMVCYLK-UHFFFAOYSA-N
Synonyms
2,6-Dibromo-9,10-Bis(4-tert-Butylphenyl)anthracene 2,6-Dibromo-9,10-bis(4-(tert-butyl)phenyl)anthracene MFCD26406214 2,6-Dibromo-9,10-bis[4-(tert-butyl)phenyl]anthracene C34H32Br2

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
26
Fraction Csp3
0.24
Rotatable bonds
2
Molar refractivity
165.13
TPSA
0.0000

LogP / Solubility

WLOGP
11.45
MLOGP
10.12
XLogP3
12.4
Consensus LogP
11.32
Log S (ESOL)
-11.18
Class (ESOL)
Insoluble
Log S (Ali)
-12.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.3
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)
1.74

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

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