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CAS 64204-54-2 2-CHLORO-N-(4-METHYLCYCLOHEXYL)ACETAMIDE molecular structure lightbox
CAS RN: 64204-54-2

2-CHLORO-N-(4-METHYLCYCLOHEXYL)ACETAMIDE

  • Product code: SSC-173964
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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 64204-54-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

64204-54-2 / 2-chloro-N-(4-methylcyclohexyl)acetamide

Standard CAS: 64204-54-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
64204-54-2
Multi CAS
No
Molecular Formula
C9H16CLNO
Molecular Weight
189.680000
Exact Mass
189.092042
InChI
InChI=1S/C9H16ClNO/c1-7-2-4-8(5-3-7)11-9(12)6-10/h7-8H,2-6H2,1H3,(H,11,12)
InChIKey
IFFSWQPYYXZPOV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
50.28
TPSA
29.1

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
2.2
Consensus LogP
1.94
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.5
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
Class (SILICOS-IT)
Moderately 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)
-2.51

Drug-likeness / Medicinal Chemistry

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

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