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CAS 6280-57-5 Formamide, N,N-dioctyl- molecular structure lightbox
CAS RN: 6280-57-5

Formamide, N,N-dioctyl-

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250717 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS6280-57-5
  • Purity/Analytical Methods: >99.0%
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6280-57-5 / N,N-dioctylformamide

Standard CAS: 6280-57-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6280-57-5
Multi CAS
Yes
Molecular Formula
C17H35NO
Molecular Weight
269.500000
Exact Mass
269.271865
InChI
InChI=1S/C17H35NO/c1-3-5-7-9-11-13-15-18(17-19)16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3
InChIKey
NNLFVDJUSPWFRP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.94
Rotatable bonds
15
H-bond acceptors
1
Molar refractivity
84.39
TPSA
20.31

LogP / Solubility

WLOGP
5.17
MLOGP
4.55
XLogP3
6.6
Consensus LogP
5.44
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.7

Drug-likeness / Medicinal Chemistry

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

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