CAS RN: 34973-39-2
1,1,3,3,4,4-Hexachloro-1-butene
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250328 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS34973-39-2
- Purity/Analytical Methods: >99.0%
34973-39-2 / 1,1,3,3,4,4-hexachlorobut-1-ene
Basic Information
CAS
34973-39-2
Multi CAS
No
Molecular Formula
C4H2CL6
Molecular Weight
262.800000
Exact Mass
261.825816
InChI
InChI=1S/C4H2Cl6/c5-2(6)1-4(9,10)3(7)8/h1,3H
InChIKey
ABMSWFCHXPNDHQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
2
Molar refractivity
49.72
TPSA
0.0000
LogP / Solubility
WLOGP
4.28
MLOGP
3.78
XLogP3
4.5
Consensus LogP
4.19
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.16
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.28
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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