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CAS 64382-93-0 1,2-DIBROMO-4-BROMOMETHYL-BENZENE molecular structure lightbox
CAS RN: 64382-93-0

1,2-DIBROMO-4-BROMOMETHYL-BENZENE

  • Product code: SSC-174153
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 64382-93-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

64382-93-0 / 1,2-dibromo-4-(bromomethyl)benzene

Standard CAS: 64382-93-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64382-93-0
Multi CAS
No
Molecular Formula
C7H5BR3
Molecular Weight
328.830000
Exact Mass
327.792090
InChI
InChI=1S/C7H5Br3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,4H2
InChIKey
CSQATZGGKHAYKW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
1
Molar refractivity
54.47
TPSA
0.0000

LogP / Solubility

WLOGP
4.11
MLOGP
3.63
XLogP3
3.9
Consensus LogP
3.88
Log S (ESOL)
-4.84
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.33
Class (SILICOS-IT)
Slightly soluble

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
No
Log Kp (skin permeation)
-1.81

Drug-likeness / Medicinal Chemistry

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

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