CAS RN: 143192-60-3
1-ethynyl-2-(2-phenylethynyl)benzene
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.20250607 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINE887764
143192-60-3 / 1-ethynyl-2-(2-phenylethynyl)benzene
Basic Information
CAS
143192-60-3
Multi CAS
No
Molecular Formula
C16H10
Molecular Weight
202.250000
Exact Mass
202.078250
SMILES
C#CC1=CC=CC=C1C#CC2=CC=CC=C2
InChI
InChI=1S/C16H10/c1-2-15-10-6-7-11-16(15)13-12-14-8-4-3-5-9-14/h1,3-11H
InChIKey
FFEGFMOHMPSHTK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
3
Molar refractivity
66.8
TPSA
0.0000
LogP / Solubility
WLOGP
3.07
MLOGP
2.7
XLogP3
4.2
Consensus LogP
3.32
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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