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CAS 1160573-89-6 2-Bromo-5-chloroethylbenzene molecular structure lightbox
CAS RN: 1160573-89-6

2-Bromo-5-chloroethylbenzene

  • Product code: SSC-016161
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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, 0.25g, 5g
  • Available purity: ≥97%
  • Inventory rows with stock: 2
  • 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 1160573-89-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 1 In Stock Shenzhen Inquiry
1g ≥97% 1 In Stock Shanghai Inquiry
0.25g -- 0 Out of Stock Shenzhen Inquiry
0.25g ≥97% 0 Out of Stock Shanghai Inquiry
5g -- 0 Out of Stock Shenzhen Inquiry
5g ≥97% 0 Out of Stock Beijing Inquiry

1160573-89-6 / 1-bromo-4-chloro-2-ethylbenzene

1-bromo-4-chloro-2-ethylbenzene | 2-Bromo-5-chloroethylbenzene | MFCD11846044

Standard CAS: 1160573-89-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1160573-89-6
Multi CAS
Yes
Molecular Formula
C8H8BrCl
Molecular Weight
219.500000
Exact Mass
217.949790
SMILES
CCC1=C(C=CC(=C1)Cl)Br
InChI
InChI=1S/C8H8BrCl/c1-2-6-5-7(10)3-4-8(6)9/h3-5H,2H2,1H3
InChIKey
BTGSQYQDTHZFCM-UHFFFAOYSA-N
Synonyms
1-bromo-4-chloro-2-ethylbenzene 2-Bromo-5-chloroethylbenzene MFCD11846044 SCHEMBL8071662 SCHEMBL27840682

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
Molar refractivity
48.53
TPSA
0.0000

LogP / Solubility

WLOGP
3.66
MLOGP
3.23
XLogP3
4
Consensus LogP
3.63
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.46

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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