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CAS 2005487-65-8 (2-Hydroxy-5-methylphenyl)triphenylphosphonium Bromide molecular structure lightbox
CAS RN: 2005487-65-8

(2-Hydroxy-5-methylphenyl)triphenylphosphonium Bromide

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260509 1g In stock Inquiry
Batchno.20260110 5g In stock Inquiry
  • Product code: SSC-094410
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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: 1g
  • 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 2005487-65-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

2005487-65-8 / (2-hydroxy-5-methylphenyl)-triphenylphosphanium bromide

Standard CAS: 2005487-65-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
2005487-65-8
Multi CAS
No
Molecular Formula
C25H22BrOP
Molecular Weight
449.300000
Exact Mass
448.059160
SMILES
CC1=CC(=C(C=C1)O)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]
InChI
InChI=1S/C25H21OP.BrH/c1-20-17-18-24(26)25(19-20)27(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23;/h2-19H,1H3;1H
InChIKey
VXAMADQLMOHZCT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
117.63
TPSA
20.23

LogP / Solubility

WLOGP
1.32
MLOGP
1.2
XLogP3
1.32
Consensus LogP
1.28
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.16
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)
-4.52

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
3

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]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

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