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CAS 97073-18-2 2-(5-Methylfuran-2-yl)piperidine molecular structure lightbox
CAS RN: 97073-18-2

2-(5-Methylfuran-2-yl)piperidine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260209 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: LINM913789
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97073-18-2 / 2-(5-methylfuran-2-yl)piperidine

Standard CAS: 97073-18-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
97073-18-2
Multi CAS
No
Molecular Formula
C10H15NO
Molecular Weight
165.230000
Exact Mass
165.115364
InChI
InChI=1S/C10H15NO/c1-8-5-6-10(12-8)9-4-2-3-7-11-9/h5-6,9,11H,2-4,7H2,1H3
InChIKey
PAHYJZIMPANAIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.04
TPSA
25.17

LogP / Solubility

WLOGP
2.4
MLOGP
2.11
XLogP3
1.7
Consensus LogP
2.07
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.65
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.85
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)
-2.02

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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