CAS RN: 4461-41-0
2-Chloro-2-butene
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251205 | 1ml | In stock | Shanghai | Inquiry |
- Product code: ICTC1622
- Purity/Analytical Methods: >96.0%(GC)
4461-41-0 / 2-chlorobut-2-ene
Basic Information
CAS
4461-41-0
Multi CAS
Yes
Molecular Formula
C4H7CL
Molecular Weight
90.550000
Exact Mass
90.023628
InChI
InChI=1S/C4H7Cl/c1-3-4(2)5/h3H,1-2H3
InChIKey
DSDHFHLZEFQSFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
0.5
Molar refractivity
25.28
TPSA
0.0000
LogP / Solubility
WLOGP
2.15
MLOGP
1.88
XLogP3
2.1
Consensus LogP
2.04
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
Customers Also Viewed
-
trans-1,3-Dichloropropene
- CAS RN: 10061-02-6
- Product Code: ICTD2346
- Purity/Analytical method: >98.0%(GC)
-
-
-
-
-
2,3-Dibromopropene
- CAS RN: 513-31-5
- Product Code: ICTD0205
- Purity/Analytical method: >90.0%(GC)
