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CAS 142810-49-9 Cyclohexanecarboxamide,N-(4-chlorophenyl)- molecular structure lightbox
CAS RN: 142810-49-9

Cyclohexanecarboxamide,N-(4-chlorophenyl)-

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250319 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS142810-49-9
  • Purity/Analytical Methods: >99.0%
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142810-49-9 / N-(4-chlorophenyl)cyclohexanecarboxamide

Standard CAS: 142810-49-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
142810-49-9
Multi CAS
No
Molecular Formula
C13H16ClNO
Molecular Weight
237.720000
Exact Mass
237.092042
SMILES
C1CCC(CC1)C(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H16ClNO/c14-11-6-8-12(9-7-11)15-13(16)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,15,16)
InChIKey
RVJKIPFPMXENNO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
66.66
TPSA
29.1

LogP / Solubility

WLOGP
3.86
MLOGP
3.4
XLogP3
4.1
Consensus LogP
3.79
Log S (ESOL)
-3.89
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.65
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.43

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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