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CAS 35510-03-3 1,5-DIBROMO-2,4-BIS-BROMOMETHYL-BENZENE molecular structure lightbox
CAS RN: 35510-03-3

1,5-DIBROMO-2,4-BIS-BROMOMETHYL-BENZENE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250517 1g In stock Shanghai Inquiry
  • Product code: starshine_CAS35510-03-3
  • Purity/Analytical Methods: >99.0%
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35510-03-3 / 1,5-dibromo-2,4-bis(bromomethyl)benzene

Standard CAS: 35510-03-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35510-03-3
Multi CAS
Yes
Molecular Formula
C8H6BR4
Molecular Weight
421.750000
Exact Mass
421.716200
InChI
InChI=1S/C8H6Br4/c9-3-5-1-6(4-10)8(12)2-7(5)11/h1-2H,3-4H2
InChIKey
UYNPUSPGNRCVLC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
Molar refractivity
67.1
TPSA
0.0000

LogP / Solubility

WLOGP
5
MLOGP
4.43
XLogP3
4.4
Consensus LogP
4.61
Log S (ESOL)
-5.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.63
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.79
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.74

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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