CAS RN: 28507-96-2
MESO-1 2 3 4-TETRACHLOROBUTANE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260619 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | 5-7 business days | Inquiry |
- Product code: starshine_CAS28507-96-2
- Purity/Analytical Methods: >99.0%
28507-96-2 / 1,2,3,4-tetrachlorobutane
Basic Information
CAS
28507-96-2
Multi CAS
Yes
Molecular Formula
C4H6Cl4
Molecular Weight
195.900000
Exact Mass
195.919411
InChI
InChI=1S/C4H6Cl4/c5-1-3(7)4(8)2-6/h3-4H,1-2H2/t3-,4+
InChIKey
IXZVKECRTHXEEW-ZXZARUISSA-N
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
3
Molar refractivity
40.72
TPSA
0.0000
LogP / Solubility
WLOGP
2.68
MLOGP
2.36
XLogP3
2.7
Consensus LogP
2.58
Log S (ESOL)
-2.54
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.1
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
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)
-2.01
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
2.5
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