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CAS 1050749-52-4 9-(4-Bromo-3,5-diisopropylphenyl)anthracene molecular structure lightbox
CAS RN: 1050749-52-4

9-(4-Bromo-3,5-diisopropylphenyl)anthracene

  • Product code: SSC-006839
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1050749-52-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 5 In Stock Shanghai Inquiry
0.1g ≥95% 3 In Stock Shenzhen Inquiry
0.25g ≥95% 3 In Stock Hong Kong Inquiry
5g ≥95% 3 In Stock Beijing Inquiry

1050749-52-4 / 9-[4-bromo-3,5-di(propan-2-yl)phenyl]anthracene

9-(4-Bromo-3,5-diisopropylphenyl)anthracene | MFCD32662061 | C26H25Br

Standard CAS: 1050749-52-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1050749-52-4
Multi CAS
No
Molecular Formula
C26H25Br
Molecular Weight
417.400000
Exact Mass
416.113960
SMILES
CC(C)C1=CC(=CC(=C1Br)C(C)C)C2=C3C=CC=CC3=CC4=CC=CC=C42
InChI
InChI=1S/C26H25Br/c1-16(2)23-14-20(15-24(17(3)4)26(23)27)25-21-11-7-5-9-18(21)13-19-10-6-8-12-22(19)25/h5-17H,1-4H3
InChIKey
CVCXOJFURPFHHM-UHFFFAOYSA-N
Synonyms
9-(4-Bromo-3,5-diisopropylphenyl)anthracene MFCD32662061 C26H25Br SY265545 9-(4-bromo-3,5-diisopropyl-phenyl)anthracene

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
20
Fraction Csp3
0.23
Rotatable bonds
3
Molar refractivity
122.77
TPSA
0.0000

LogP / Solubility

WLOGP
8.67
MLOGP
7.66
XLogP3
9
Consensus LogP
8.44
Log S (ESOL)
-8.24
Class (ESOL)
Insoluble
Log S (Ali)
-9.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.93
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)
0.89

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
3

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