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CAS 34377-84-9 4-[(Triphenylphosphonio)methyl]pyridinium chloride molecular structure lightbox
CAS RN: 34377-84-9

4-[(Triphenylphosphonio)methyl]pyridinium chloride

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260512 1g / 5g / 10g Confirm by inquiry Shanghai 3-5 business days Inquiry
  • Product code: starshine_CAS34377-84-9
  • Purity/Analytical Methods: >99.0%
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34377-84-9 / triphenyl(pyridin-4-ylmethyl)phosphanium;chloride;hydrochloride

Standard CAS: 34377-84-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
34377-84-9
Multi CAS
Yes
Molecular Formula
C24H22CL2NP
Molecular Weight
426.300000
Exact Mass
425.086692
InChI
InChI=1S/C24H21NP.2ClH/c1-4-10-22(11-5-1)26(23-12-6-2-7-13-23,24-14-8-3-9-15-24)20-21-16-18-25-19-17-21;;/h1-19H,20H2;2*1H/q+1;;/p-1
InChIKey
RNZHPMCFKOLRSZ-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
120.34
TPSA
12.89

LogP / Solubility

WLOGP
2
MLOGP
1.79
XLogP3
2
Consensus LogP
1.93
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.69
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
No
Log Kp (skin permeation)
-3.9

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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