CAS RN: 55671-55-1
DIBROMOBORANE DIMETHYL SULFIDE COMPLEX
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS55671-55-1
- Purity/Analytical Methods: >99.0%
55671-55-1 / DIBROMOBORANE DIMETHYL SULFIDE COMPLEX
Basic Information
CAS
55671-55-1
Multi CAS
Yes
Molecular Formula
C2H6BBR2S
Molecular Weight
232.760000
Exact Mass
232.862950
InChI
InChI=1S/C2H6S.BBr2/c1-3-2;2-1-3/h1-2H3;
InChIKey
REOJEHVVMRCCMX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
1
H-bond acceptors
1
Molar refractivity
43.05
TPSA
25.3000
LogP / Solubility
WLOGP
2.29
MLOGP
2.02
XLogP3
2.29
Consensus LogP
2.2
Log S (ESOL)
-2.73
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.51
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
1.5
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