CAS RN: 557-95-9
BROMODIIODOMETHANE
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS557-95-9
- Purity/Analytical Methods: >99.0%
557-95-9 / bromo(diiodo)methane
Basic Information
CAS
557-95-9
Multi CAS
Yes
Molecular Formula
CHBRI2
Molecular Weight
346.730000
Exact Mass
345.735110
InChI
InChI=1S/CHBrI2/c2-1(3)4/h1H
InChIKey
PTGIGXMFLYACDM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
4
Fraction Csp3
1
Molar refractivity
40.75
TPSA
0.0000
LogP / Solubility
WLOGP
2.53
MLOGP
2.25
XLogP3
2.5
Consensus LogP
2.43
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1
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