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CAS 2719-62-2 6-phenyldodecane molecular structure lightbox
CAS RN: 2719-62-2

6-phenyldodecane

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260607 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: LINP908824
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2719-62-2 / dodecan-6-ylbenzene

Standard CAS: 2719-62-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2719-62-2
Multi CAS
No
Molecular Formula
C18H30
Molecular Weight
246.400000
Exact Mass
246.234751
InChI
InChI=1S/C18H30/c1-3-5-7-10-14-17(13-9-6-4-2)18-15-11-8-12-16-18/h8,11-12,15-17H,3-7,9-10,13-14H2,1-2H3
InChIKey
ZYHJQFMTTFCBKH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
10
Molar refractivity
82.08
TPSA
0.0000

LogP / Solubility

WLOGP
6.32
MLOGP
5.57
XLogP3
7.9
Consensus LogP
6.6
Log S (ESOL)
-4.94
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.14
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.71
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)
0.26

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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