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CAS 71-67-0 BROMOSULFALEIN molecular structure lightbox
CAS RN: 71-67-0

BROMOSULFALEIN

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260616 1g In stock Inquiry
Batchno.20250830 250mg In stock Inquiry
  • Product code: starshine_CAS71-67-0
  • Purity/Analytical Methods: >99.0%
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71-67-0 / disodium;2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfonatophenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonate

Standard CAS: 71-67-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
71-67-0
Multi CAS
Yes
Molecular Formula
C20H8BR4NA2O10S2
Molecular Weight
838.000000
Exact Mass
837.604680
InChI
InChI=1S/C20H10Br4O10S2.2Na/c21-15-13-14(16(22)18(24)17(15)23)20(34-19(13)27,7-1-3-9(25)11(5-7)35(28,29)30)8-2-4-10(26)12(6-8)36(31,32)33;;/h1-6,25-26H,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2
InChIKey
GHAFORRTMVIXHS-UHFFFAOYSA-L

Physical Properties

Physical Description
Hygroscopic solid; [Merck Index] White odorless solid; [HSDB] Beige powder
Appearance
CRYSTALS WHITE CRYSTALLINE POWDER
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
18
Fraction Csp3
0.05
Rotatable bonds
4
H-bond acceptors
10
H-bond donors
2
Molar refractivity
134.68
TPSA
181.16

LogP / Solubility

WLOGP
-1.57
MLOGP
-1.31
XLogP3
-1.57
Consensus LogP
-1.48
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly 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)
-8.95

Drug-likeness / Medicinal Chemistry

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

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