CAS RN: 23074-36-4
2-BROMO-1-BUTENE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250329 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS23074-36-4
- Purity/Analytical Methods: >99.0%
23074-36-4 / 2-bromobut-1-ene
Basic Information
CAS
23074-36-4
Multi CAS
No
Molecular Formula
C4H7Br
Molecular Weight
135.000000
Exact Mass
133.973110
SMILES
CCC(=C)Br
InChI
InChI=1S/C4H7Br/c1-3-4(2)5/h2-3H2,1H3
InChIKey
HQMXRIGBXOFKIU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
Molar refractivity
28.36
TPSA
0.0000
LogP / Solubility
WLOGP
2.31
MLOGP
2.02
XLogP3
2.4
Consensus LogP
2.24
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1
