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CAS 4492-42-6 3-cyclopentenylMethylaMine molecular structure lightbox
CAS RN: 4492-42-6

3-cyclopentenylMethylaMine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250822 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS4492-42-6
  • Purity/Analytical Methods: >99.0%
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4492-42-6 / cyclopent-3-en-1-ylmethanamine

Standard CAS: 4492-42-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
4492-42-6
Multi CAS
No
Molecular Formula
C6H11N
Molecular Weight
97.160000
Exact Mass
97.089149
InChI
InChI=1S/C6H11N/c7-5-6-3-1-2-4-6/h1-2,6H,3-5,7H2
InChIKey
MKLFRAVVYRKTRH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
0.67
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
30.92
TPSA
26.02

LogP / Solubility

WLOGP
0.91
MLOGP
0.79
XLogP3
0.7
Consensus LogP
0.8
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-1.01
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.17
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)
-2.67

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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