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CAS 3042-69-1 1-cyclohexylnaphthalene molecular structure lightbox
CAS RN: 3042-69-1

1-cyclohexylnaphthalene

  • Product code: SSC-134843
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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: ≥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 3042-69-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥95% 0 Out of Stock Hong Kong Inquiry

3042-69-1 / 1-cyclohexylnaphthalene

Standard CAS: 3042-69-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3042-69-1
Multi CAS
Yes
Molecular Formula
C16H18
Molecular Weight
210.310000
Exact Mass
210.140851
InChI
InChI=1S/C16H18/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h4-6,9-13H,1-3,7-8H2
InChIKey
RAYZALBEMJMGEA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
1
Molar refractivity
69.77
TPSA
0.0000

LogP / Solubility

WLOGP
4.89
MLOGP
4.3
XLogP3
5.7
Consensus LogP
4.96
Log S (ESOL)
-4.62
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
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)
-0.53

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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