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CAS 331467-05-1 INDIRUBIN-3′-MONOXIME-5-SULPHONIC ACID molecular structure lightbox
CAS RN: 331467-05-1

INDIRUBIN-3′-MONOXIME-5-SULPHONIC ACID

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250801 1mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS331467-05-1
  • Purity/Analytical Methods: >99.0%
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331467-05-1 / 2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indole-5-sulfonic acid

Standard CAS: 331467-05-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
331467-05-1
Multi CAS
No
Molecular Formula
C16H11N3O5S
Molecular Weight
357.300000
Exact Mass
357.041942
InChI
InChI=1S/C16H11N3O5S/c20-16-13(10-7-8(25(22,23)24)5-6-12(10)18-16)15-14(19-21)9-3-1-2-4-11(9)17-15/h1-7,17-18,20H,(H,22,23,24)
InChIKey
BZZVPFDMEVQJTI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
4
Molar refractivity
92.53
TPSA
135.61

LogP / Solubility

WLOGP
3.67
MLOGP
3.25
XLogP3
1.9
Consensus LogP
2.94
Log S (ESOL)
-4.7
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.14
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.3

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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