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CAS 6578-07-0 5-BROMO-4-CHLORO-3-INDOLYL SULFATE POTASSIUM SALT molecular structure lightbox
CAS RN: 6578-07-0

5-BROMO-4-CHLORO-3-INDOLYL SULFATE POTASSIUM SALT

Product Availability

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2 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250519 100mg Out of stock Inquiry
Batchno.20250109 250mg Out of stock Inquiry
  • Product code: starshine_CAS6578-07-0
  • Purity/Analytical Methods: >99.0%
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6578-07-0 / potassium (5-bromo-4-chloro-1H-indol-3-yl) sulfate

Standard CAS: 6578-07-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
6578-07-0
Multi CAS
Yes
Molecular Formula
C8H4BRCLKNO4S
Molecular Weight
364.640000
Exact Mass
362.837000
InChI
InChI=1S/C8H5BrClNO4S.K/c9-4-1-2-5-7(8(4)10)6(3-11-5)15-16(12,13)14;/h1-3,11H,(H,12,13,14);/q;+1/p-1
InChIKey
BONBCMDYPZGTEU-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
61.33
TPSA
82.22

LogP / Solubility

WLOGP
-0.57
MLOGP
-0.48
XLogP3
-0.57
Consensus LogP
-0.54
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
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)
-5.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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