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CAS 14296-16-3 1,20-DIBROMOEICOSANE molecular structure lightbox
CAS RN: 14296-16-3

1,20-DIBROMOEICOSANE

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250217 100mg In stock Shanghai Inquiry
Batchno.20260422 1g In stock Shanghai Inquiry
Batchno.20260620 250mg In stock Shanghai Inquiry
Batchno.20250520 50mg In stock Shanghai Inquiry
Batchno.20251102 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS14296-16-3
  • Purity/Analytical Methods: >99.0%
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14296-16-3 / 1,20-dibromoicosane

Standard CAS: 14296-16-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
14296-16-3
Multi CAS
No
Molecular Formula
C20H40Br2
Molecular Weight
440.300000
Exact Mass
440.147630
SMILES
C(CCCCCCCCCCBr)CCCCCCCCCBr
InChI
InChI=1S/C20H40Br2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22/h1-20H2
InChIKey
AYGKJDVBWSEQHQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
19
Molar refractivity
110.69
TPSA
0.0000

LogP / Solubility

WLOGP
8.8
MLOGP
7.77
XLogP3
10.8
Consensus LogP
9.12
Log S (ESOL)
-6.86
Class (ESOL)
Insoluble
Log S (Ali)
-9.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.1
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.84

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
2.5

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