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CAS 77172-72-6 3,4,5,6-Tetrabromophenolsulfonephthalein molecular structure lightbox
CAS RN: 77172-72-6

3,4,5,6-Tetrabromophenolsulfonephthalein

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260520 100g In stock Shanghai Inquiry
Batchno.20251029 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20250101 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20260608 25g In stock Shanghai, Shenzhen Inquiry
Batchno.20250618 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: SSC-186667
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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 77172-72-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

77172-72-6 / 2,3,4,5-tetrabromo-6-[(4-hydroxyphenyl)-(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid

Standard CAS: 77172-72-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
77172-72-6
Multi CAS
Yes
Molecular Formula
C19H10BR4O5S
Molecular Weight
670.000000
Exact Mass
669.694150
InChI
InChI=1S/C19H10Br4O5S/c20-14-13-18(17(23)16(22)15(14)21)29(26,27)28-19(13,9-1-5-11(24)6-2-9)10-3-7-12(25)8-4-10/h1-8,24-25H
InChIKey
ARVZQGSXIKSAAY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
124.47
TPSA
91.67

LogP / Solubility

WLOGP
6.19
MLOGP
5.5
XLogP3
5.7
Consensus LogP
5.8
Log S (ESOL)
-8
Class (ESOL)
Insoluble
Log S (Ali)
-9.52
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.51
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.41

Drug-likeness / Medicinal Chemistry

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

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