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CAS 91419-46-4 4-butanamide molecular structure lightbox
CAS RN: 91419-46-4

4-butanamide

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260605 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS91419-46-4
  • Purity/Analytical Methods: >99.0%
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91419-46-4 / tert-butyl N-(4-amino-4-oxobutyl)carbamate

Standard CAS: 91419-46-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
91419-46-4
Multi CAS
No
Molecular Formula
C9H18N2O3
Molecular Weight
202.250000
Exact Mass
202.131742
InChI
InChI=1S/C9H18N2O3/c1-9(2,3)14-8(13)11-6-4-5-7(10)12/h4-6H2,1-3H3,(H2,10,12)(H,11,13)
InChIKey
JDLJEEHPJMRSIG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
52.67
TPSA
81.42

LogP / Solubility

WLOGP
0.78
MLOGP
0.68
XLogP3
0.1
Consensus LogP
0.52
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately 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)
-3.4

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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