CAS RN: 1726-14-3
1,1-DIPHENYLBUT-1-ENE
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.20250626 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1726-14-3
- Purity/Analytical Methods: >99.0%
1726-14-3 / 1-phenylbut-1-enylbenzene
Basic Information
CAS
1726-14-3
Multi CAS
No
Molecular Formula
C16H16
Molecular Weight
208.300000
Exact Mass
208.125201
SMILES
CCC=C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H16/c1-2-9-16(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h3-13H,2H2,1H3
InChIKey
FKDKAGHZAOFATR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
3
Molar refractivity
70.25
TPSA
0.0000
LogP / Solubility
WLOGP
4.53
MLOGP
3.99
XLogP3
5.2
Consensus LogP
4.57
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Flammable
Irritant
Environmental Hazard
Signal
Warning
GHS Hazard Statements
H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H400 (50%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P272, P273, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, and P501
Customers Also Viewed
-
2,4-dinitro-N-(octylideneamino)aniline
- CAS RN: 1726-77-8
- Product Code: starshine_CAS1726-77-8
- Purity/Analytical method: >99.0%
-
-
-
2H-1-Benzopyran-3-carboxylic acid, 8-hydroxy-2-oxo-
- CAS RN: 1728-89-8
- Product Code: SSC-075912
-
Methane, chloro(ethylsulfonyl)-
- CAS RN: 1728-94-5
- Product Code: starshine_CAS1728-94-5
- Purity/Analytical method: >99.0%
-
1-(p-tolyl)guanidine
- CAS RN: 1729-17-5
- Product Code: starshine_CAS1729-17-5
- Purity/Analytical method: >99.0%
