CAS RN: 41215-40-1

Formamide, N-cyclopentyl-

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  • Product code: LINF927023
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41215-40-1 / N-cyclopentylformamide

Standard CAS: 41215-40-1 Multi CAS: Yes

Basic Information

CAS
41215-40-1
Multi CAS
Yes
Molecular Formula
C6H11NO
Molecular Weight
113.160000
Exact Mass
113.084064
InChI
InChI=1S/C6H11NO/c8-5-7-6-3-1-2-4-6/h5-6H,1-4H2,(H,7,8)
InChIKey
WYLHQTSQMKMTGM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.46
TPSA
29.1

LogP / Solubility

WLOGP
0.67
MLOGP
0.58
XLogP3
0.8
Consensus LogP
0.68
Log S (ESOL)
-0.83
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.2
Class (SILICOS-IT)
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)
-2.93

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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