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CAS 75717-77-0 2,4-dichloro-1-ethynylbenzene molecular structure lightbox
CAS RN: 75717-77-0

2,4-dichloro-1-ethynylbenzene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250208 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-185166
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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: >97%
  • Inventory rows with stock: 1
  • 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 75717-77-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Hong Kong Inquiry
0.25g >97% 0 Out of Stock Shanghai Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry

75717-77-0 / 2,4-dichloro-1-ethynylbenzene

Standard CAS: 75717-77-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
75717-77-0
Multi CAS
No
Molecular Formula
C8H4CL2
Molecular Weight
171.020000
Exact Mass
169.969006
InChI
InChI=1S/C8H4Cl2/c1-2-6-3-4-7(9)5-8(6)10/h1,3-5H
InChIKey
RMSZXRRYRZBYTC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
Molar refractivity
44.4
TPSA
0.0000

LogP / Solubility

WLOGP
2.97
MLOGP
2.61
XLogP3
4.1
Consensus LogP
3.23
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
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)
-1.65

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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