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CAS 90267-03-1 1-BROMO-3,5-DIETHYLBENZENE molecular structure lightbox
CAS RN: 90267-03-1

1-BROMO-3,5-DIETHYLBENZENE

  • Product code: SSC-202737
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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: 5g
  • 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 90267-03-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

90267-03-1 / 1-bromo-3,5-diethylbenzene

Standard CAS: 90267-03-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90267-03-1
Multi CAS
Yes
Molecular Formula
C10H13BR
Molecular Weight
213.110000
Exact Mass
212.020060
InChI
InChI=1S/C10H13Br/c1-3-8-5-9(4-2)7-10(11)6-8/h5-7H,3-4H2,1-2H3
InChIKey
GJZCXWCBZPSQEV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
Molar refractivity
52.9
TPSA
0.0000

LogP / Solubility

WLOGP
3.57
MLOGP
3.15
XLogP3
4.2
Consensus LogP
3.64
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.89
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.25
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)
-1.48

Drug-likeness / Medicinal Chemistry

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

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