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CAS 26730-14-3 TRIDECANE,7-METHYL- molecular structure lightbox
CAS RN: 26730-14-3

TRIDECANE,7-METHYL-

Product Availability

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260330 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS26730-14-3
  • Purity/Analytical Methods: >99.0%
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26730-14-3 / 7-methyltridecane

Standard CAS: 26730-14-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
26730-14-3
Multi CAS
No
Molecular Formula
C14H30
Molecular Weight
198.390000
Exact Mass
198.234751
SMILES
CCCCCCC(C)CCCCCC
InChI
InChI=1S/C14H30/c1-4-6-8-10-12-14(3)13-11-9-7-5-2/h14H,4-13H2,1-3H3
InChIKey
BHDKLTKHPZWYCV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
10
Molar refractivity
66.68
TPSA
0.0000

LogP / Solubility

WLOGP
5.56
MLOGP
4.9
XLogP3
7.5
Consensus LogP
5.99
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.77
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.02

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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