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CAS 467459-21-8 5-(2-bromoethyl)undecane molecular structure lightbox
CAS RN: 467459-21-8

5-(2-bromoethyl)undecane

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5 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260619 100mg In stock Inquiry
Batchno.20260423 1g In stock Inquiry
Batchno.20250802 250mg In stock Inquiry
Batchno.20251209 5g Out of stock Inquiry
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Batchno.20250813 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS467459-21-8
  • Purity/Analytical Methods: >99.0%
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467459-21-8 / 5-(2-bromoethyl)undecane

Standard CAS: 467459-21-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
467459-21-8
Multi CAS
No
Molecular Formula
C13H27BR
Molecular Weight
263.260000
Exact Mass
262.129610
InChI
InChI=1S/C13H27Br/c1-3-5-7-8-10-13(11-12-14)9-6-4-2/h13H,3-12H2,1-2H3
InChIKey
CEPAGHOPRBKPJY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
10
Molar refractivity
70.19
TPSA
0.0000

LogP / Solubility

WLOGP
5.55
MLOGP
4.89
XLogP3
7
Consensus LogP
5.81
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.18
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)
-0.39

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
2

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