[email protected]
CAS 115754-62-6 Tributyl(1,3-dioxolan-2-ylmethyl)phosphonium Bromide molecular structure lightbox
CAS RN: 115754-62-6

Tributyl(1,3-dioxolan-2-ylmethyl)phosphonium Bromide

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251014 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251110 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260308 25g In stock Shanghai Inquiry
Batchno.20250329 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
  • Product code: SSC-015504
GET A QUOTE
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
Request Bulk Quote

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 115754-62-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Hong Kong Inquiry

115754-62-6 / tributyl(1,3-dioxolan-2-ylmethyl)phosphanium bromide

Tributyl(1,3-dioxolan-2-ylmethyl)phosphonium Bromide | RefChem:899096 | 678-328-4

Standard CAS: 115754-62-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115754-62-6
Multi CAS
Yes
Molecular Formula
C16H34BrO2P
Molecular Weight
369.320000
Exact Mass
368.147980
SMILES
CCCC[P+](CCCC)(CCCC)CC1OCCO1.[Br-]
InChI
InChI=1S/C16H34O2P.BrH/c1-4-7-12-19(13-8-5-2,14-9-6-3)15-16-17-10-11-18-16;/h16H,4-15H2,1-3H3;1H/q+1;/p-1
InChIKey
SABIECHYMHKXJI-UHFFFAOYSA-M
Synonyms
Tributyl(1,3-dioxolan-2-ylmethyl)phosphonium Bromide RefChem:899096 678-328-4 ((1,3-Dioxolan-2-yl)methyl)tributylphosphonium bromide MFCD09859807

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
2
Molar refractivity
86.8
TPSA
18.46

LogP / Solubility

WLOGP
1.78
MLOGP
1.59
XLogP3
1.78
Consensus LogP
1.72
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.86
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)
-3.71

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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 (97.4%): 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

Customers Also Viewed

Get In Touch

Contact Us