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CAS 115532-52-0 TMRE molecular structure lightbox
CAS RN: 115532-52-0

TMRE

Product Availability

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9 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260610 5mg / 10mg / 50mg / 250mg Confirm by inquiry Shanghai, Guangdong, Chongqing 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260205 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20251229 10mg In stock Shanghai Inquiry
Batchno.20251120 1g In stock Shanghai Inquiry
Batchno.20250112 1mg In stock Shanghai Inquiry
Batchno.20251110 250mg In stock Shanghai Inquiry
Batchno.20251226 25mg In stock Shanghai Inquiry
Batchno.20250808 50mg In stock Shanghai Inquiry
Batchno.20260214 5mg In stock Shanghai Inquiry
  • Product code: SSC-015301
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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: ≥97%
  • 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 115532-52-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Beijing Inquiry

115532-52-0 / [6-(dimethylamino)-9-(2-ethoxycarbonylphenyl)xanthen-3-ylidene]-dimethylazanium perchlorate

Tetramethylrhodamine ethyl ester perchlorate | TMRE perchlorate | Xanthylium, 3,6-bis(dimethylamino)-9-[2-(ethoxycarbonyl)phenyl]-, perchlorate (1:1)

Standard CAS: 115532-52-0 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115532-52-0
Multi CAS
Yes
Molecular Formula
C26H27ClN2O7
Molecular Weight
515.000000
Exact Mass
514.150679
SMILES
CCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](C)C)C=C3OC4=C2C=CC(=C4)N(C)C.[O-]Cl(=O)(=O)=O
InChI
InChI=1S/C26H27N2O3.ClHO4/c1-6-30-26(29)20-10-8-7-9-19(20)25-21-13-11-17(27(2)3)15-23(21)31-24-16-18(28(4)5)12-14-22(24)25;2-1(3,4)5/h7-16H,6H2,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChIKey
NBAOBNBFGNQAEJ-UHFFFAOYSA-M
Synonyms
Tetramethylrhodamine ethyl ester perchlorate TMRE perchlorate Xanthylium, 3,6-bis(dimethylamino)-9-[2-(ethoxycarbonyl)phenyl]-, perchlorate (1:1) CHEBI:78720 DTXSID70376365

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
20
Fraction Csp3
0.23
Rotatable bonds
4
H-bond acceptors
8
Molar refractivity
125.67
TPSA
137.93

LogP / Solubility

WLOGP
-0.28
MLOGP
-0.21
XLogP3
-0.28
Consensus LogP
-0.26
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.58
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.06

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501

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