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CAS 4102-60-7 18-Bromo-6,9-octadecadiene molecular structure lightbox
CAS RN: 4102-60-7

18-Bromo-6,9-octadecadiene

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260108 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS4102-60-7
  • Purity/Analytical Methods: >99.0%
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4102-60-7 / 18-bromooctadeca-6,9-diene

Standard CAS: 4102-60-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4102-60-7
Multi CAS
Yes
Molecular Formula
C18H33BR
Molecular Weight
329.400000
Exact Mass
328.176560
InChI
InChI=1S/C18H33Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h6-7,9-10H,2-5,8,11-18H2,1H3
InChIKey
SBRPUFDSMGABKD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Fraction Csp3
0.78
Rotatable bonds
14
Molar refractivity
93.15
TPSA
0.0000

LogP / Solubility

WLOGP
7.19
MLOGP
6.35
XLogP3
8.7
Consensus LogP
7.41
Log S (ESOL)
-5.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.45
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
No
Log Kp (skin permeation)
0.38

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
1.5

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