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CAS 1126-56-3 N-cyclohexylpropanamide molecular structure lightbox
CAS RN: 1126-56-3

N-cyclohexylpropanamide

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Batchno.20260223 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1126-56-3
  • Purity/Analytical Methods: >99.0%
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1126-56-3 / N-cyclohexylpropanamide

N-Cyclohexylpropanamide | DTXSID80284048 | RefChem:1091705

Standard CAS: 1126-56-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1126-56-3
Multi CAS
Yes
Molecular Formula
C9H17NO
Molecular Weight
155.240000
Exact Mass
155.131014
SMILES
CCC(=O)NC1CCCCC1
InChI
InChI=1S/C9H17NO/c1-2-9(11)10-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,10,11)
InChIKey
OSLMDZTZEPAYCP-UHFFFAOYSA-N
Synonyms
N-Cyclohexylpropanamide DTXSID80284048 RefChem:1091705 DTXCID60235199 Propanamide, N-cyclohexyl-

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
45.31
TPSA
29.1

LogP / Solubility

WLOGP
1.85
MLOGP
1.62
XLogP3
1.8
Consensus LogP
1.76
Log S (ESOL)
-1.83
Class (ESOL)
Soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
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)
-2.36

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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