CAS RN: 63462-42-0
BORON DICHLORIDE-METHYL SULFIDE COMPLEX
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS63462-42-0
- Purity/Analytical Methods: >99.0%
63462-42-0 / dichloro(dimethylsulfonio)boranuide
Basic Information
CAS
63462-42-0
Multi CAS
Yes
Molecular Formula
C2H7BCL2S
Molecular Weight
144.860000
Exact Mass
143.973857
InChI
InChI=1S/C2H6BCl2S/c1-6(2)3(4)5/h1-2H3
InChIKey
GVZAKKOKLYNJKU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
6
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
38.07
TPSA
1.0000
LogP / Solubility
WLOGP
1.06
MLOGP
0.93
XLogP3
1.06
Consensus LogP
1.02
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.6
Class (SILICOS-IT)
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)
-2.85
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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