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CAS 944543-13-9 N,N-bis-(diphenylphosphanylmethyl)-2-aminopyridine molecular structure lightbox
CAS RN: 944543-13-9

N,N-bis-(diphenylphosphanylmethyl)-2-aminopyridine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251224 100mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS944543-13-9
  • Purity/Analytical Methods: >99.0%
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944543-13-9 / N,N-bis(diphenylphosphanylmethyl)pyridin-2-amine

Standard CAS: 944543-13-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
944543-13-9
Multi CAS
No
Molecular Formula
C31H28N2P2
Molecular Weight
490.500000
Exact Mass
490.172773
InChI
InChI=1S/C31H28N2P2/c1-5-15-27(16-6-1)34(28-17-7-2-8-18-28)25-33(31-23-13-14-24-32-31)26-35(29-19-9-3-10-20-29)30-21-11-4-12-22-30/h1-24H,25-26H2
InChIKey
ZXIWFXGTKWRBNF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
30
Fraction Csp3
0.06
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
154.59
TPSA
16.13

LogP / Solubility

WLOGP
6.07
MLOGP
5.38
XLogP3
7.2
Consensus LogP
6.22
Log S (ESOL)
-6.74
Class (ESOL)
Insoluble
Log S (Ali)
-7.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.97
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.4

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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