[email protected]
CAS 5112-95-8 BIS(DIPHENYLPHOSPHINO)ACETYLENE molecular structure lightbox
CAS RN: 5112-95-8

BIS(DIPHENYLPHOSPHINO)ACETYLENE

Product Availability

Choose a grade to view its available package options.

3 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250116 1g In stock Shenzhen, Chengdu Inquiry
Batchno.20260105 250mg Out of stock Inquiry
Batchno.20250516 5g In stock Shenzhen, Chengdu Inquiry
  • Product code: starshine_CAS5112-95-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

5112-95-8 / 2-diphenylphosphanylethynyl(diphenyl)phosphane

Standard CAS: 5112-95-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5112-95-8
Multi CAS
Yes
Molecular Formula
C26H20P2
Molecular Weight
394.400000
Exact Mass
394.104025
InChI
InChI=1S/C26H20P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H
InChIKey
FOWZHJNBFVLJGP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
24
Rotatable bonds
4
Molar refractivity
125.92
TPSA
0.0000

LogP / Solubility

WLOGP
5.17
MLOGP
4.57
XLogP3
6.5
Consensus LogP
5.41
Log S (ESOL)
-5.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.53
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.45

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us