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CAS 17566-51-7 Cyclohexanecarboxamide, N,N-dimethyl- molecular structure lightbox
CAS RN: 17566-51-7

Cyclohexanecarboxamide, N,N-dimethyl-

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Batchno.20250410 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS17566-51-7
  • Purity/Analytical Methods: >99.0%
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17566-51-7 / N,N-dimethylcyclohexanecarboxamide

Standard CAS: 17566-51-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17566-51-7
Multi CAS
No
Molecular Formula
C9H17NO
Molecular Weight
155.240000
Exact Mass
155.131014
SMILES
CN(C)C(=O)C1CCCCC1
InChI
InChI=1S/C9H17NO/c1-10(2)9(11)8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKey
JBCOYDRQCPJFHJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.89
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
45.27
TPSA
20.31

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
1.8
Consensus LogP
1.63
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
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)
-2.49

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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