CAS RN: 17814-85-6
4-(Carboxybutyl)triphenylphosphonium Bromide
Product Availability
Choose a grade to view its available package options.
15 package records15 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250526 | 100g | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20260626 | 100g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251013 | 10g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260323 | 1kg | In stock | Shanghai, Shenzhen, Wuhan | Inquiry |
| Batchno.20250808 | 25g | In stock | Shanghai, Shandong, Chongqing | Inquiry |
| Batchno.20260301 | 25g | In stock | Shanghai, Shenzhen, Tianjin, Chengdu | Inquiry |
| Batchno.20260227 | 500g | In stock | Shandong | Inquiry |
| Batchno.20260420 | 500g | In stock | Shenzhen, Tianjin, Wuhan | Inquiry |
| Batchno.20250626 | 5g | In stock | Shanghai, Shandong, Guangdong | Inquiry |
| Batchno.20250120 | 5g | In stock | Shanghai, Shenzhen, Wuhan | Inquiry |
- Product code: SSC-078380
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: 1000g, 500g, 10g, 100g, 5g, 25g
- Available purity: ≥97%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1000g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 500g | ≥97% | 4 In Stock | Hong Kong | Inquiry |
| 10g | ≥97% | 3 In Stock | Beijing | Inquiry |
| 100g | ≥97% | 3 In Stock | Beijing | Inquiry |
| 5g | ≥97% | 2 In Stock | Beijing | Inquiry |
| 25g | ≥97% | 2 In Stock | Beijing | Inquiry |
17814-85-6 / 4-carboxybutyl(triphenyl)phosphanium bromide
Basic Information
CAS
17814-85-6
Multi CAS
No
Molecular Formula
C23H24BrO2P
Molecular Weight
443.300000
Exact Mass
442.069730
SMILES
C1=CC=C(C=C1)[P+](CCCCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
InChI
InChI=1S/C23H23O2P.BrH/c24-23(25)18-10-11-19-26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22;/h1-9,12-17H,10-11,18-19H2;1H
InChIKey
MLOSJPZSZWUDSK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
18
Fraction Csp3
0.17
Rotatable bonds
8
H-bond acceptors
1
H-bond donors
1
Molar refractivity
111.5
TPSA
37.3
LogP / Solubility
WLOGP
1.24
MLOGP
1.12
XLogP3
1.24
Consensus LogP
1.2
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.09
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly 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)
-4.54
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (13.2%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (83%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (83%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (81.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
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