CAS RN: 13371-17-0
Butyltriphenylphosphonium Chloride
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251113 | 100g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260519 | 1g | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20250830 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250713 | 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
| Batchno.20260222 | 500g | In stock | Shanghai | Inquiry |
| Batchno.20250808 | 5g | In stock | Shanghai, Shenzhen | Inquiry |
- Product code: ICTB5730
- Purity/Analytical Methods: >98.0%(T)(HPLC)
13371-17-0 / butyl(triphenyl)phosphanium chloride
Basic Information
CAS
13371-17-0
Multi CAS
No
Molecular Formula
C22H24ClP
Molecular Weight
354.800000
Exact Mass
354.130416
SMILES
CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]
InChI
InChI=1S/C22H24P.ClH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1
InChIKey
MFIUDWFSVDFDDY-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
1
Molar refractivity
104.92
TPSA
0.0000
LogP / Solubility
WLOGP
1.78
MLOGP
1.59
XLogP3
1.78
Consensus LogP
1.72
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.76
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.17
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)
-3.62
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)
Acute Toxic
Irritant
Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (40%): Toxic if swallowed [Danger Acute toxicity, oral]
H302 (48.4%): Harmful if swallowed [Warning Acute toxicity, oral]
H311 (39.2%): Toxic in contact with skin [Danger Acute toxicity, dermal]
H315 (98.9%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (98.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501
