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CAS 4501-35-3 1-CYCLOHEXYL-2-METHYL-BENZENE molecular structure lightbox
CAS RN: 4501-35-3

1-CYCLOHEXYL-2-METHYL-BENZENE

  • Product code: SSC-152887
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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: 1g
  • 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 4501-35-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

4501-35-3 / 1-cyclohexyl-2-methylbenzene

Standard CAS: 4501-35-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4501-35-3
Multi CAS
No
Molecular Formula
C13H18
Molecular Weight
174.280000
Exact Mass
174.140851
InChI
InChI=1S/C13H18/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h5-7,10,12H,2-4,8-9H2,1H3
InChIKey
PCMIWASLPQNSCD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
1
Molar refractivity
57.01
TPSA
0.0000

LogP / Solubility

WLOGP
4.04
MLOGP
3.55
XLogP3
4.8
Consensus LogP
4.13
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.27
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)
-0.91

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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