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CAS 160001-94-5 1-(4-tert-butylphenyl)cyclopentan-1-amine molecular structure lightbox
CAS RN: 160001-94-5

1-(4-tert-butylphenyl)cyclopentan-1-amine

  • Product code: SSC-067989
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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 160001-94-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

160001-94-5 / 1-(4-tert-butylphenyl)cyclopentan-1-amine

Standard CAS: 160001-94-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
160001-94-5
Multi CAS
No
Molecular Formula
C15H23N
Molecular Weight
217.350000
Exact Mass
217.183050
SMILES
CC(C)(C)C1=CC=C(C=C1)C2(CCCC2)N
InChI
InChI=1S/C15H23N/c1-14(2,3)12-6-8-13(9-7-12)15(16)10-4-5-11-15/h6-9H,4-5,10-11,16H2,1-3H3
InChIKey
PMTBIPCGTQPLGH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
69.48
TPSA
26.02

LogP / Solubility

WLOGP
3.71
MLOGP
3.27
XLogP3
3.5
Consensus LogP
3.49
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly 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)
-1.41

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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