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CAS 60398-55-2 2-[Bis(diphenylphosphino)Methyl]pyridine molecular structure lightbox
CAS RN: 60398-55-2

2-[Bis(diphenylphosphino)Methyl]pyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250523 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS60398-55-2
  • Purity/Analytical Methods: >99.0%
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60398-55-2 / [diphenylphosphanyl(pyridin-2-yl)methyl]-diphenylphosphane

Standard CAS: 60398-55-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
60398-55-2
Multi CAS
No
Molecular Formula
C30H25NP2
Molecular Weight
461.500000
Exact Mass
461.146224
InChI
InChI=1S/C30H25NP2/c1-5-15-25(16-6-1)32(26-17-7-2-8-18-26)30(29-23-13-14-24-31-29)33(27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-24,30H
InChIKey
DBOQTXVSGUZHCU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
30
Fraction Csp3
0.03
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
145.12
TPSA
12.89

LogP / Solubility

WLOGP
6.35
MLOGP
5.62
XLogP3
6.5
Consensus LogP
6.16
Log S (ESOL)
-6.91
Class (ESOL)
Insoluble
Log S (Ali)
-7.93
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.77
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)
-1.03

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
3.5

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