CAS RN: 767-99-7
trans-2-Phenyl-2-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.20250410 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS767-99-7
- Purity/Analytical Methods: >99.0%
767-99-7 / but-2-en-2-ylbenzene
Basic Information
CAS
767-99-7
Multi CAS
Yes
Molecular Formula
C10H12
Molecular Weight
132.200000
Exact Mass
132.093900
InChI
InChI=1S/C10H12/c1-3-9(2)10-7-5-4-6-8-10/h3-8H,1-2H3
InChIKey
UGUYQBMBIJFNRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
Molar refractivity
45.77
TPSA
0.0000
LogP / Solubility
WLOGP
3.11
MLOGP
2.73
XLogP3
3.7
Consensus LogP
3.18
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.22
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)
-1.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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