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CAS 868847-75-0 1,4-dibromo-2,5-divinylbenzene molecular structure lightbox
CAS RN: 868847-75-0

1,4-dibromo-2,5-divinylbenzene

Product Availability

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3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250903 100mg In stock Shanghai, Shandong Inquiry
Batchno.20250901 1g Out of stock 5-7 business days Inquiry
Batchno.20260502 500mg In stock Shanghai Inquiry
  • Product code: LIND887545
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868847-75-0 / 1,4-dibromo-2,5-bis(ethenyl)benzene

Standard CAS: 868847-75-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
868847-75-0
Multi CAS
No
Molecular Formula
C10H8BR2
Molecular Weight
287.980000
Exact Mass
287.897230
InChI
InChI=1S/C10H8Br2/c1-3-7-5-10(12)8(4-2)6-9(7)11/h3-6H,1-2H2
InChIKey
GGOANPPGLZIFIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
Molar refractivity
62.02
TPSA
0.0000

LogP / Solubility

WLOGP
4.5
MLOGP
3.97
XLogP3
4.9
Consensus LogP
4.46
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.28

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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