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CAS 5830-30-8 N,N-DIMETHYLHEXANAMIDE molecular structure lightbox
CAS RN: 5830-30-8

N,N-DIMETHYLHEXANAMIDE

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250511 1g In stock Inquiry
Batchno.20250218 250mg In stock Inquiry
Batchno.20260320 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251122 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS5830-30-8
  • Purity/Analytical Methods: >99.0%
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5830-30-8 / N,N-dimethylhexanamide

Standard CAS: 5830-30-8 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5830-30-8
Multi CAS
No
Molecular Formula
C8H17NO
Molecular Weight
143.230000
Exact Mass
143.131014
InChI
InChI=1S/C8H17NO/c1-4-5-6-7-8(10)9(2)3/h4-7H2,1-3H3
InChIKey
OAERLTPBKQBWHJ-UHFFFAOYSA-N

Physical Properties

Physical Description
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
0.88
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
42.84
TPSA
20.31

LogP / Solubility

WLOGP
1.65
MLOGP
1.45
XLogP3
1.6
Consensus LogP
1.57
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.44
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)
-2.42

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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