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CAS 7333-52-0 CYCLOPENTYLTRIPHENYLPHOSPHONIUM BROMIDE molecular structure lightbox
CAS RN: 7333-52-0

CYCLOPENTYLTRIPHENYLPHOSPHONIUM BROMIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260425 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS7333-52-0
  • Purity/Analytical Methods: >99.0%
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7333-52-0 / cyclopentyl(triphenyl)phosphanium bromide

Standard CAS: 7333-52-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
7333-52-0
Multi CAS
Yes
Molecular Formula
C23H24BRP
Molecular Weight
411.300000
Exact Mass
410.079900
InChI
InChI=1S/C23H24P.BrH/c1-4-12-20(13-5-1)24(23-18-10-11-19-23,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17,23H,10-11,18-19H2;1H/q+1;/p-1
InChIKey
WZYWSVSFFTZZPE-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
107.4
TPSA
0.0000

LogP / Solubility

WLOGP
1.93
MLOGP
1.72
XLogP3
1.93
Consensus LogP
1.86
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.41
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.86

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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