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CAS 2304-58-7 5-CyanopentanaMide molecular structure lightbox
CAS RN: 2304-58-7

5-CyanopentanaMide

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260103 1g In stock Shanghai Inquiry
Batchno.20250620 250mg In stock Shanghai, Shandong, Hebei Inquiry
  • Product code: starshine_CAS2304-58-7
  • Purity/Analytical Methods: >99.0%
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2304-58-7 / 5-cyanopentanamide

Standard CAS: 2304-58-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2304-58-7
Multi CAS
No
Molecular Formula
C6H10N2O
Molecular Weight
126.160000
Exact Mass
126.079313
SMILES
C(CCC(=O)N)CC#N
InChI
InChI=1S/C6H10N2O/c7-5-3-1-2-4-6(8)9/h1-4H2,(H2,8,9)
InChIKey
XZUDGZXKOFPLBC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
33.28
TPSA
66.88

LogP / Solubility

WLOGP
0.56
MLOGP
0.48
XLogP3
-0.5
Consensus LogP
0.18
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.42
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)
-3.1

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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