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CAS 25117-33-3 5-Methylpentadecane molecular structure lightbox
CAS RN: 25117-33-3

5-Methylpentadecane

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250403 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS25117-33-3
  • Purity/Analytical Methods: >99.0%
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25117-33-3 / 5-methylpentadecane

Standard CAS: 25117-33-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
25117-33-3
Multi CAS
No
Molecular Formula
C16H34
Molecular Weight
226.440000
Exact Mass
226.266051
InChI
InChI=1S/C16H34/c1-4-6-8-9-10-11-12-13-15-16(3)14-7-5-2/h16H,4-15H2,1-3H3
InChIKey
YWUXIGHUBKWHRW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
1
Rotatable bonds
12
Molar refractivity
75.92
TPSA
0.0000

LogP / Solubility

WLOGP
6.34
MLOGP
5.59
XLogP3
8.6
Consensus LogP
6.84
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.84
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)
0.4

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
2

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