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CAS 39756-36-0 N-NONADECANE-D40 molecular structure lightbox
CAS RN: 39756-36-0

N-NONADECANE-D40

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251125 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS39756-36-0
  • Purity/Analytical Methods: >99.0%
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39756-36-0 / 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,19-tetracontadeuteriononadecane

Standard CAS: 39756-36-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39756-36-0
Multi CAS
Yes
Molecular Formula
C19H40
Molecular Weight
308.800000
Exact Mass
308.564071
InChI
InChI=1S/C19H40/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3-19H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2,18D2,19D2
InChIKey
LQERIDTXQFOHKA-FZTVEWNYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
16
Molar refractivity
89.84
TPSA
0.0000

LogP / Solubility

WLOGP
7.66
MLOGP
6.75
XLogP3
9.9
Consensus LogP
8.1
Log S (ESOL)
-5.27
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.68
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
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)
1.08

Drug-likeness / Medicinal Chemistry

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

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