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CAS 1127-76-0 1-Ethylnaphthalene molecular structure lightbox
CAS RN: 1127-76-0

1-Ethylnaphthalene

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250825 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
  • Product code: SSC-013047
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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: 25g
  • Available purity: ≥97%
  • 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 1127-76-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 0 Out of Stock Hong Kong Inquiry

1127-76-0 / 1-ethylnaphthalene

1-ETHYLNAPHTHALENE | Naphthalene, 1-ethyl- | .alpha.-Ethylnaphthalene

Standard CAS: 1127-76-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1127-76-0
Multi CAS
No
Molecular Formula
C12H12
Molecular Weight
156.220000
Exact Mass
156.093900
SMILES
CCC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C12H12/c1-2-10-7-5-8-11-6-3-4-9-12(10)11/h3-9H,2H2,1H3
InChIKey
ZMXIYERNXPIYFR-UHFFFAOYSA-N
Synonyms
1-ETHYLNAPHTHALENE Naphthalene, 1-ethyl- .alpha.-Ethylnaphthalene alpha-Ethylnaphthalene EINECS 214-432-4

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
1
Molar refractivity
53.33
TPSA
0.0000

LogP / Solubility

WLOGP
3.4
MLOGP
2.99
XLogP3
4.4
Consensus LogP
3.6
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.26

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Environmental Hazard
GHS Hazard Statements
H411 (90.3%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, P391, and P501

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