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CAS 106308-26-3 1,2-Bis(di-2-pyridylphosphino)ethane,min.98% molecular structure lightbox
CAS RN: 106308-26-3

1,2-Bis(di-2-pyridylphosphino)ethane,min.98%

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260629 100mg Out of stock Inquiry
Batchno.20250514 250mg Out of stock Inquiry
  • Product code: starshine_CAS106308-26-3
  • Purity/Analytical Methods: >99.0%
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106308-26-3 / 2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane

1,2-Bis(di(pyridin-2-yl)phosphino)ethane | 1,2-BIS(DI-2-PYRIDYLPHOSPHINO)ETHANE | 2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane

Standard CAS: 106308-26-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
106308-26-3
Multi CAS
No
Molecular Formula
C22H20N4P2
Molecular Weight
402.400000
Exact Mass
402.116321
SMILES
C1=CC=NC(=C1)P(CCP(C2=CC=CC=N2)C3=CC=CC=N3)C4=CC=CC=N4
InChI
InChI=1S/C22H20N4P2/c1-5-13-23-19(9-1)27(20-10-2-6-14-24-20)17-18-28(21-11-3-7-15-25-21)22-12-4-8-16-26-22/h1-16H,17-18H2
InChIKey
GBLNXAZZONXIQE-UHFFFAOYSA-N
Synonyms
1,2-Bis(di(pyridin-2-yl)phosphino)ethane 1,2-BIS(DI-2-PYRIDYLPHOSPHINO)ETHANE 2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane MFCD10565625 1,2-Bis(di-2-pyridylphosphino)ethane,min.98per cent

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.09
Rotatable bonds
7
H-bond acceptors
4
Molar refractivity
119.06
TPSA
51.56

LogP / Solubility

WLOGP
2.83
MLOGP
2.52
XLogP3
2.9
Consensus LogP
2.75
Log S (ESOL)
-4.29
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.47
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.16

Drug-likeness / Medicinal Chemistry

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

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