CAS RN: 38411-20-0
1,2,4-Trichloro-3-iodobenzene
Product Availability
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5 package records5 with current stock1 grade group
- Product code: starshine_CAS38411-20-0
- Purity/Analytical Methods: >99.0%
38411-20-0 / 1,2,4-trichloro-3-iodobenzene
Basic Information
CAS
38411-20-0
Multi CAS
No
Molecular Formula
C6H2CL3I
Molecular Weight
307.300000
Exact Mass
305.826680
InChI
InChI=1S/C6H2Cl3I/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
InChIKey
OQMMMNSQFMXSBX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Molar refractivity
54.19
TPSA
0.0000
LogP / Solubility
WLOGP
4.25
MLOGP
3.75
XLogP3
4.4
Consensus LogP
4.13
Log S (ESOL)
-4.87
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.15
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.58
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
1.5
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