CAS RN: 81726-81-0
1,15-Dibromopentadecane
Product Availability
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4 package records0 with current stock1 grade group
- Product code: starshine_CAS81726-81-0
- Purity/Analytical Methods: >99.0%
81726-81-0 / 1,15-dibromopentadecane
Basic Information
CAS
81726-81-0
Multi CAS
No
Molecular Formula
C15H30BR2
Molecular Weight
370.210000
Exact Mass
370.069380
InChI
InChI=1S/C15H30Br2/c16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17/h1-15H2
InChIKey
MPCLDIKGVNAKFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
14
Molar refractivity
87.61
TPSA
0.0000
LogP / Solubility
WLOGP
6.85
MLOGP
6.05
XLogP3
8
Consensus LogP
6.97
Log S (ESOL)
-5.53
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.43
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)
-0.12
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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