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CAS 204136-88-9 Cyclohexanecarboxamide, 4-oxo- (9CI) molecular structure lightbox
CAS RN: 204136-88-9

Cyclohexanecarboxamide, 4-oxo- (9CI)

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250816 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 15 business days Inquiry
  • Product code: SSC-096040
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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: ＞97%
  • 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 204136-88-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

204136-88-9 / 4-oxocyclohexane-1-carboxamide

Standard CAS: 204136-88-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
204136-88-9
Multi CAS
No
Molecular Formula
C7H11NO2
Molecular Weight
141.170000
Exact Mass
141.078979
SMILES
C1CC(=O)CCC1C(=O)N
InChI
InChI=1S/C7H11NO2/c8-7(10)5-1-3-6(9)4-2-5/h5H,1-4H2,(H2,8,10)
InChIKey
ACLDPFULPGCZMG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.71
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
36.16
TPSA
60.16

LogP / Solubility

WLOGP
0.23
MLOGP
0.2
XLogP3
-0.7
Consensus LogP
-0.09
Log S (ESOL)
-0.79
Class (ESOL)
Very soluble
Log S (Ali)
-0.88
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.89
Class (SILICOS-IT)
Very 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)
-3.42

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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