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CAS 15912-75-1 Triphenylpropylphosphonium bromide molecular structure lightbox
CAS RN: 15912-75-1

Triphenylpropylphosphonium bromide

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250218 100g In stock Shanghai Inquiry
Batchno.20260625 1kg In stock Tianjin, Wuhan, Chengdu Inquiry
Batchno.20251230 25g In stock Shanghai Inquiry
Batchno.20251005 500g In stock Shanghai, Tianjin Inquiry
Batchno.20250709 50g / 250g / 1kg / 5kg Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei Inquiry
  • Product code: starshine_CAS15912-75-1
  • Purity/Analytical Methods: >99.0%
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15912-75-1 / triphenyl(propyl)phosphanium

Standard CAS: 15912-75-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
15912-75-1
Multi CAS
No
Molecular Formula
C21H22P+
Molecular Weight
305.400000
Exact Mass
305.145913
SMILES
CCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H22P/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17H,2,18H2,1H3/q+1
InChIKey
MSXNDXIAUQJHNS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
5
Molar refractivity
100.31
TPSA
0.0000

LogP / Solubility

WLOGP
4.39
MLOGP
3.88
XLogP3
4.3
Consensus LogP
4.19
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.89
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.47

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (86%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (86%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (14%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (14%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (14%): 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 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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