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CAS 2206741-04-8 Naphthalene, 1-bromo-8-ethyl- molecular structure lightbox
CAS RN: 2206741-04-8

Naphthalene, 1-bromo-8-ethyl-

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260317 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-106173
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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: 0.1g, 0.25g, 1g, 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 2206741-04-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

2206741-04-8 / 1-bromo-8-ethylnaphthalene

Standard CAS: 2206741-04-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2206741-04-8
Multi CAS
No
Molecular Formula
C12H11Br
Molecular Weight
235.120000
Exact Mass
234.004410
SMILES
CCC1=CC=CC2=C1C(=CC=C2)Br
InChI
InChI=1S/C12H11Br/c1-2-9-5-3-6-10-7-4-8-11(13)12(9)10/h3-8H,2H2,1H3
InChIKey
WCLMAQHFHULUJI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
1
Molar refractivity
61.03
TPSA
0.0000

LogP / Solubility

WLOGP
4.16
MLOGP
3.67
XLogP3
4.7
Consensus LogP
4.18
Log S (ESOL)
-4.42
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.49
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.2

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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