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CAS 1779-58-4 Methoxycarbonylmethyl(triphenyl)phosphonium Bromide molecular structure lightbox
CAS RN: 1779-58-4

Methoxycarbonylmethyl(triphenyl)phosphonium Bromide

Product Availability

Choose a grade to view its available package options.

7 package records7 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260330 100g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250409 10g In stock Shanghai, Tianjin Inquiry
Batchno.20260116 1kg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250203 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251005 500g In stock Shanghai Inquiry
Batchno.20250104 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260116 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-077769
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 10g, 25g, 100g, 500g, 1000g
  • Available purity: ≥98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1779-58-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Hong Kong Inquiry
10g ≥98% 5 In Stock Beijing Inquiry
25g ≥98% 5 In Stock Beijing Inquiry
100g ≥98% 5 In Stock Shenzhen Inquiry
500g ≥98% 0 Out of Stock Shanghai Inquiry
1000g ≥98% 0 Out of Stock Shanghai Inquiry

1779-58-4 / (2-methoxy-2-oxoethyl)-triphenylphosphanium bromide

Standard CAS: 1779-58-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1779-58-4
Multi CAS
No
Molecular Formula
C21H20BrO2P
Molecular Weight
415.300000
Exact Mass
414.038430
SMILES
COC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
InChI
InChI=1S/C21H20O2P.BrH/c1-23-21(22)17-24(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20;/h2-16H,17H2,1H3;1H/q+1;/p-1
InChIKey
VCWBQLMDSMSVRL-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.1
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
102.03
TPSA
26.3

LogP / Solubility

WLOGP
0.16
MLOGP
0.16
XLogP3
0.16
Consensus LogP
0.16
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly 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)
-5.14

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 (97.7%): 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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