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CAS 18355-96-9 3-((Dimethylamino)propyl)triphenylphosphonium bromide molecular structure lightbox
CAS RN: 18355-96-9

3-((Dimethylamino)propyl)triphenylphosphonium bromide

Product Availability

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6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260604 1g In stock Shanghai Inquiry
Batchno.20250127 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20260126 250mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251031 25g Out of stock Inquiry
Batchno.20251213 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250327 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-084897
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 18355-96-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

18355-96-9 / 3-(dimethylamino)propyl-triphenylphosphanium bromide

Standard CAS: 18355-96-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18355-96-9
Multi CAS
No
Molecular Formula
C23H27BrNP
Molecular Weight
428.300000
Exact Mass
427.106450
SMILES
CN(C)CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
InChI
InChI=1S/C23H27NP.BrH/c1-24(2)19-12-20-25(21-13-6-3-7-14-21,22-15-8-4-9-16-22)23-17-10-5-11-18-23;/h3-11,13-18H,12,19-20H2,1-2H3;1H/q+1;/p-1
InChIKey
SSWPSKSQQSJKKF-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.22
Rotatable bonds
7
H-bond acceptors
1
Molar refractivity
113.19
TPSA
3.24

LogP / Solubility

WLOGP
0.94
MLOGP
0.85
XLogP3
0.94
Consensus LogP
0.91
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
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)
-4.67

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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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