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CAS 140389-09-9 1,7-Bis(4-bromophenyl)heptane molecular structure lightbox
CAS RN: 140389-09-9

1,7-Bis(4-bromophenyl)heptane

  • Product code: SSC-050999
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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: 0.1g, 0.25g, 1g, 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 140389-09-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 4 In Stock Shenzhen Inquiry
5g ≥95% 1 In Stock Hong Kong Inquiry

140389-09-9 / 1-bromo-4-[7-(4-bromophenyl)heptyl]benzene

Standard CAS: 140389-09-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
140389-09-9
Multi CAS
No
Molecular Formula
C19H22Br2
Molecular Weight
410.200000
Exact Mass
410.006780
SMILES
C1=CC(=CC=C1CCCCCCCC2=CC=C(C=C2)Br)Br
InChI
InChI=1S/C19H22Br2/c20-18-12-8-16(9-13-18)6-4-2-1-3-5-7-17-10-14-19(21)15-11-17/h8-15H,1-7H2
InChIKey
HVLNMJJDFRDFTN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
8
Molar refractivity
98.78
TPSA
0.0000

LogP / Solubility

WLOGP
6.95
MLOGP
6.14
XLogP3
8.2
Consensus LogP
7.1
Log S (ESOL)
-6.65
Class (ESOL)
Insoluble
Log S (Ali)
-7.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.05
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)
-0.29

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
2.5

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