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CAS 143655-57-6 143655-57-6 molecular structure lightbox
CAS RN: 143655-57-6

143655-57-6

  • Product code: SSC-055036
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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: 0.25g
  • 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 143655-57-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

143655-57-6 / N-(3-fluoro-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide

Standard CAS: 143655-57-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
143655-57-6
Multi CAS
No
Molecular Formula
C13H16FNO
Molecular Weight
221.270000
Exact Mass
221.121592
SMILES
CC1=C(C=C(C2=C1CCCC2)NC(=O)C)F
InChI
InChI=1S/C13H16FNO/c1-8-10-5-3-4-6-11(10)13(7-12(8)14)15-9(2)16/h7H,3-6H2,1-2H3,(H,15,16)
InChIKey
RSIIDEXJEKVHHH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
62.08
TPSA
29.1

LogP / Solubility

WLOGP
2.97
MLOGP
2.62
XLogP3
2.9
Consensus LogP
2.83
Log S (ESOL)
-3.3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-1.96

Drug-likeness / Medicinal Chemistry

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

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