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CAS 109348-55-2 Tetrabutylphosphonium Benzotriazolate molecular structure lightbox
CAS RN: 109348-55-2

Tetrabutylphosphonium Benzotriazolate

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251207 1g In stock Inquiry
Batchno.20260102 25g In stock Inquiry
Batchno.20251102 5g In stock Inquiry
  • Product code: SSC-010622
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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: 25g
  • 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 109348-55-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞95% 0 Out of Stock Shenzhen Inquiry

109348-55-2 / 2H-benzotriazole;tetrabutylphosphanium

Tetrabutylphosphonium Benzotriazolate | RefChem:896785 | MFCD04038148

Standard CAS: 109348-55-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
109348-55-2
Multi CAS
Yes
Molecular Formula
C22H41N3P+
Molecular Weight
378.600000
Exact Mass
378.303810
SMILES
CCCC[P+](CCCC)(CCCC)CCCC.C1=CC2=NNN=C2C=C1
InChI
InChI=1S/C16H36P.C6H5N3/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2-4-6-5(3-1)7-9-8-6/h5-16H2,1-4H3;1-4H,(H,7,8,9)/q+1;
InChIKey
WANXHMXXVLVMSK-UHFFFAOYSA-N
Synonyms
Tetrabutylphosphonium Benzotriazolate RefChem:896785 MFCD04038148 SY111141 CS-0207739

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
9
Fraction Csp3
0.73
Rotatable bonds
12
H-bond acceptors
2
H-bond donors
1
Molar refractivity
119.91
TPSA
41.57

LogP / Solubility

WLOGP
7.16
MLOGP
6.32
XLogP3
7.16
Consensus LogP
6.88
Log S (ESOL)
-6.16
Class (ESOL)
Insoluble
Log S (Ali)
-7.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.51
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
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 (13.3%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (13.3%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (86.7%): Causes skin irritation [Warning Skin corrosion/irritation] H332 (13.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P332+P317, P362+P364, and P501

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