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CAS 52893-99-9 Tris(N-methylpiperazino)phosphine molecular structure lightbox
CAS RN: 52893-99-9

Tris(N-methylpiperazino)phosphine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250801 500mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS52893-99-9
  • Purity/Analytical Methods: >99.0%
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52893-99-9 / tris(4-methylpiperazin-1-yl)phosphane

Standard CAS: 52893-99-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52893-99-9
Multi CAS
No
Molecular Formula
C15H33N6P
Molecular Weight
328.440000
Exact Mass
328.250432
InChI
InChI=1S/C15H33N6P/c1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H2,1-3H3
InChIKey
VCQVIFAEXZABCN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
94.13
TPSA
19.44

LogP / Solubility

WLOGP
-0.04
MLOGP
-0.02
XLogP3
0.1
Consensus LogP
0.01
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.12
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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