[email protected]
CAS 1240785-42-5 1,2-bis(4-ethynylphenyl)-1,2-diphenylethene molecular structure lightbox
CAS RN: 1240785-42-5

1,2-bis(4-ethynylphenyl)-1,2-diphenylethene

Product Availability

Choose a grade to view its available package options.

3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250803 1g In stock Shanghai Inquiry
Batchno.20250801 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250423 5g In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: starshine_CAS1240785-42-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1240785-42-5 / 1-ethynyl-4-[2-(4-ethynylphenyl)-1,2-diphenylethenyl]benzene

Standard CAS: 1240785-42-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1240785-42-5
Multi CAS
No
Molecular Formula
C30H20
Molecular Weight
380.500000
Exact Mass
380.156501
SMILES
C#CC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)C3=CC=C(C=C3)C#C)C4=CC=CC=C4
InChI
InChI=1S/C30H20/c1-3-23-15-19-27(20-16-23)29(25-11-7-5-8-12-25)30(26-13-9-6-10-14-26)28-21-17-24(4-2)18-22-28/h1-2,5-22H
InChIKey
YQFHNLOXRRWTLR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
24
Rotatable bonds
4
Molar refractivity
126.66
TPSA
0.0000

LogP / Solubility

WLOGP
6.66
MLOGP
5.88
XLogP3
8.5
Consensus LogP
7.01
Log S (ESOL)
-6.72
Class (ESOL)
Insoluble
Log S (Ali)
-7.49
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.14
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us