CAS RN: 1005-64-7
TRANS-1-PHENYL-1-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.20260204 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai, Chongqing | Inquiry |
- Product code: starshine_CAS1005-64-7
- Purity/Analytical Methods: >99.0%
1005-64-7 / [(E)-but-1-enyl]benzene
but-1-enylbenzene | 1-Phenyl-1-butene | RefChem:76922
Basic Information
CAS
1005-64-7
Multi CAS
Yes
Molecular Formula
C10H12
Molecular Weight
132.200000
Exact Mass
132.093900
SMILES
CC/C=C/C1=CC=CC=C1
InChI
InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h3-9H,2H2,1H3/b7-3+
InChIKey
MPMBRWOOISTHJV-XVNBXDOJSA-N
Synonyms
but-1-enylbenzene
1-Phenyl-1-butene
RefChem:76922
Benzene, 1-butenyl
ethyl styrene
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
2
Molar refractivity
45.77
TPSA
0.0000
LogP / Solubility
WLOGP
3.11
MLOGP
2.73
XLogP3
3.6
Consensus LogP
3.15
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.34
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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