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CAS 6940-78-9 1-Bromo-4-chlorobutane molecular structure lightbox
CAS RN: 6940-78-9

1-Bromo-4-chlorobutane

  • Product code: SSC-179083
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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: 10g, 25g, 100g, 500g, 1000g
  • Available purity: >97%
  • Inventory rows with stock: 5
  • 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 6940-78-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g >97% 5 In Stock Shanghai Inquiry
25g >97% 5 In Stock Hong Kong Inquiry
100g >97% 5 In Stock Shenzhen Inquiry
500g >97% 5 In Stock Hong Kong Inquiry
1000g >97% 5 In Stock Shenzhen Inquiry

6940-78-9 / 1-bromo-4-chlorobutane

Standard CAS: 6940-78-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6940-78-9
Multi CAS
Yes
Molecular Formula
C4H8BRCL
Molecular Weight
171.460000
Exact Mass
169.949790
InChI
InChI=1S/C4H8BrCl/c5-3-1-2-4-6/h1-4H2
InChIKey
NIDSRGCVYOEDFW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
3
Molar refractivity
33.75
TPSA
0.0000

LogP / Solubility

WLOGP
2.4
MLOGP
2.11
XLogP3
2.3
Consensus LogP
2.27
Log S (ESOL)
-2.22
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-2.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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