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CAS 65127-72-2 1,4-bis(2-bromoethynyl)benzene molecular structure lightbox
CAS RN: 65127-72-2

1,4-bis(2-bromoethynyl)benzene

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5 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260127 100mg Out of stock Inquiry
Batchno.20250426 1g Out of stock Inquiry
Batchno.20260502 250mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260429 1g In stock Shanghai Inquiry
Batchno.20250208 250mg In stock Shanghai, Shandong Inquiry
  • Product code: LINB887178
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65127-72-2 / 1,4-bis(2-bromoethynyl)benzene

Standard CAS: 65127-72-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
65127-72-2
Multi CAS
No
Molecular Formula
C10H4BR2
Molecular Weight
283.950000
Exact Mass
283.865930
InChI
InChI=1S/C10H4Br2/c11-7-5-9-1-2-10(4-3-9)6-8-12/h1-4H
InChIKey
AWHVEBRRCSBVJI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
Molar refractivity
58.05
TPSA
0.0000

LogP / Solubility

WLOGP
3.09
MLOGP
2.73
XLogP3
4.5
Consensus LogP
3.44
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.07
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)
-2.26

Drug-likeness / Medicinal Chemistry

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

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