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CAS 480-72-8 2a,3,4,5-Tetrahydroacenaphthene molecular structure lightbox
CAS RN: 480-72-8

2a,3,4,5-Tetrahydroacenaphthene

  • Product code: SSC-154977
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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: 10g
  • 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 480-72-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥95% 0 Out of Stock Shanghai Inquiry

480-72-8 / 1,2,3,3a,4,5-hexahydroacenaphthylene

Standard CAS: 480-72-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
480-72-8
Multi CAS
No
Molecular Formula
C12H14
Molecular Weight
158.240000
Exact Mass
158.109550
InChI
InChI=1S/C12H14/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1,3,5,11H,2,4,6-8H2
InChIKey
BDAGIAXQQBRORQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
Molar refractivity
50.44
TPSA
0.0000

LogP / Solubility

WLOGP
3.05
MLOGP
2.68
XLogP3
3.7
Consensus LogP
3.14
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly 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)
-1.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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