CAS RN: 36340-20-2

N-PENTADECANE-D32

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250801 100mg In stock Shanghai, Shandong Inquiry
  • Product code: starshine_CAS36340-20-2
  • Purity/Analytical Methods: >99.0%
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36340-20-2 / 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-dotriacontadeuteriopentadecane

Standard CAS: 36340-20-2 Multi CAS: Yes

Basic Information

CAS
36340-20-2
Multi CAS
Yes
Molecular Formula
C15H32
Molecular Weight
244.610000
Exact Mass
244.451257
InChI
InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3/i1D3,2D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2
InChIKey
YCOZIPAWZNQLMR-UBTWNIDWSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
1
Rotatable bonds
12
Molar refractivity
71.37
TPSA
0.0000

LogP / Solubility

WLOGP
6.1
MLOGP
5.37
XLogP3
7.7
Consensus LogP
6.39
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.54
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)
0.31

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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