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CAS 206559-52-6 5-CYCLOHEXYL-O-ANISIDINE molecular structure lightbox
CAS RN: 206559-52-6

5-CYCLOHEXYL-O-ANISIDINE

  • Product code: SSC-097330
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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: 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 206559-52-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

206559-52-6 / 5-cyclohexyl-2-methoxyaniline

Standard CAS: 206559-52-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
206559-52-6
Multi CAS
No
Molecular Formula
C13H19NO
Molecular Weight
205.300000
Exact Mass
205.146664
SMILES
COC1=C(C=C(C=C1)C2CCCCC2)N
InChI
InChI=1S/C13H19NO/c1-15-13-8-7-11(9-12(13)14)10-5-3-2-4-6-10/h7-10H,2-6,14H2,1H3
InChIKey
ZGCZLEYNQKVVMJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
63.23
TPSA
35.25

LogP / Solubility

WLOGP
3.33
MLOGP
2.93
XLogP3
3.9
Consensus LogP
3.39
Log S (ESOL)
-3.37
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
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)
-1.61

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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