![CAS 2363075-15-2 Bicyclo[1.1.1]pentane, 1-(difluoromethyl)-3-iodo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2363075-15-2.gif)
CAS RN: 2363075-15-2
Bicyclo[1.1.1]pentane, 1-(difluoromethyl)-3-iodo-
Product Availability
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4 package records1 with current stock1 grade group
- Product code: starshine_CAS2363075-15-2
- Purity/Analytical Methods: >99.0%
2363075-15-2 / 1-(difluoromethyl)-3-iodobicyclo[1.1.1]pentane
Basic Information
CAS
2363075-15-2
Multi CAS
No
Molecular Formula
C6H7F2I
Molecular Weight
244.020000
Exact Mass
243.956050
SMILES
C1C2(CC1(C2)I)C(F)F
InChI
InChI=1S/C6H7F2I/c7-4(8)5-1-6(9,2-5)3-5/h4H,1-3H2
InChIKey
UDGHYIXBMPAKQH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
39.04
TPSA
0.0000
LogP / Solubility
WLOGP
2.61
MLOGP
2.3
XLogP3
2.7
Consensus LogP
2.54
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.44
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-2.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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