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CAS 38409-59-5 1-Bromo-3-hexylbenzene molecular structure lightbox
CAS RN: 38409-59-5

1-Bromo-3-hexylbenzene

  • Product code: SSC-146045
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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: ≥98%
  • 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 38409-59-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Shanghai Inquiry

38409-59-5 / 1-bromo-3-hexylbenzene

Standard CAS: 38409-59-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
38409-59-5
Multi CAS
Yes
Molecular Formula
C12H17BR
Molecular Weight
241.170000
Exact Mass
240.051360
InChI
InChI=1S/C12H17Br/c1-2-3-4-5-7-11-8-6-9-12(13)10-11/h6,8-10H,2-5,7H2,1H3
InChIKey
HZUVRCRPECDFAT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
5
Molar refractivity
61.99
TPSA
0.0000

LogP / Solubility

WLOGP
4.57
MLOGP
4.03
XLogP3
5.6
Consensus LogP
4.73
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
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)
-0.95

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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