[email protected]
CAS 1176-74-5 3′,3”,5′,5”-Tetrabromophenolphthaleinethyl ester, 80%, for microscopy molecular structure lightbox
CAS RN: 1176-74-5

3′,3”,5′,5”-Tetrabromophenolphthaleinethyl ester, 80%, for microscopy

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250802 100mg In stock Shanghai Inquiry
Batchno.20260503 1g In stock Shanghai Inquiry
Batchno.20250715 250mg In stock Shanghai Inquiry
Batchno.20250208 25g In stock Shanghai Inquiry
Batchno.20260509 5g In stock Shanghai Inquiry
  • Product code: SSC-017441
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: 1g
  • 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 1176-74-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1176-74-5 / ethyl 2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate

Tetrabromophenolphthalein ethyl ester | 3',3'',5',5''-Tetrabromophenolphthalein ethyl ester | Ethyl tetrabromophenolphthalein

Standard CAS: 1176-74-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1176-74-5
Multi CAS
Yes
Molecular Formula
C22H14Br4O4
Molecular Weight
662.000000
Exact Mass
661.758460
SMILES
CCOC(=O)C1=CC=CC=C1C(=C2C=C(C(=O)C(=C2)Br)Br)C3=CC(=C(C(=C3)Br)O)Br
InChI
InChI=1S/C22H14Br4O4/c1-2-30-22(29)14-6-4-3-5-13(14)19(11-7-15(23)20(27)16(24)8-11)12-9-17(25)21(28)18(26)10-12/h3-10,27H,2H2,1H3
InChIKey
SQFXATUXPUCFFO-UHFFFAOYSA-N
Synonyms
Tetrabromophenolphthalein ethyl ester 3',3'',5',5''-Tetrabromophenolphthalein ethyl ester Ethyl tetrabromophenolphthalein Bromophthalein Magenta E DTXSID5044520

Physical Properties

Melting Point
210 °C
Appearance
Yellow crystals from benzene
State
Solid
Storage Conditions
Keep container tightly closed in a dry and well-ventilated place. Light sensitive. Store under inert gas. Air sensitive. Air and light sensitive.

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
130.95
TPSA
63.6

LogP / Solubility

WLOGP
7.04
MLOGP
6.25
XLogP3
7.6
Consensus LogP
6.96
Log S (ESOL)
-8.41
Class (ESOL)
Insoluble
Log S (Ali)
-10.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.28
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.76

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 5 of 5 companies. For more detailed information, please visit ECHA C&L website.

Customers Also Viewed

Get In Touch

Contact Us