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CAS 17857-14-6 (3-Carboxypropyl)triphenylphosphonium Bromide molecular structure lightbox
CAS RN: 17857-14-6

(3-Carboxypropyl)triphenylphosphonium Bromide

Product Availability

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13 package records13 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260330 100g In stock Inquiry
Batchno.20250818 25g In stock Inquiry
Batchno.20260123 500g In stock Inquiry
Batchno.20251029 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250715 100g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250806 10g In stock Shanghai, Chengdu Inquiry
Batchno.20251106 1kg In stock Shanghai Inquiry
Batchno.20250321 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250501 500g In stock Shanghai, Shenzhen Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251011 100g In stock Shanghai, Shandong Inquiry
Batchno.20250209 25g In stock Shanghai, Shandong, Chongqing, Hebei Inquiry
Batchno.20260221 500g In stock Shandong Inquiry
Batchno.20251125 5g In stock Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-079483
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 17857-14-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g >98% 5 In Stock Shanghai Inquiry
10g >98% 5 In Stock Hong Kong Inquiry
25g >98% 5 In Stock Shanghai Inquiry
100g >98% 5 In Stock Shenzhen Inquiry
500g >98% 2 In Stock Hong Kong Inquiry
1000g >98% 0 Out of Stock Beijing Inquiry

17857-14-6 / 3-carboxypropyl(triphenyl)phosphanium bromide

Standard CAS: 17857-14-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17857-14-6
Multi CAS
No
Molecular Formula
C22H22BrO2P
Molecular Weight
429.300000
Exact Mass
428.054080
SMILES
C1=CC=C(C=C1)[P+](CCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
InChI
InChI=1S/C22H21O2P.BrH/c23-22(24)17-10-18-25(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16H,10,17-18H2;1H
InChIKey
NKVJKVMGJABKHV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
7
H-bond acceptors
1
H-bond donors
1
Molar refractivity
106.88
TPSA
37.3

LogP / Solubility

WLOGP
0.85
MLOGP
0.77
XLogP3
0.85
Consensus LogP
0.82
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4
Class (SILICOS-IT)
Poorly 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)
-4.74

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
2.5

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