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CAS 80573-04-2 Balsalazide molecular structure lightbox
CAS RN: 80573-04-2

Balsalazide

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260613 10mg / 50mg Out of stock 5-7 business days Inquiry
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Batchno.20260514 10mg In stock Inquiry
Batchno.20250329 25mg In stock Inquiry
Batchno.20250916 50mg In stock Inquiry
Batchno.20250804 5mg In stock Inquiry
  • Product code: starshine_CAS80573-04-2
  • Purity/Analytical Methods: >99.0%
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80573-04-2 / 5-[[4-(2-carboxyethylcarbamoyl)phenyl]diazenyl]-2-hydroxybenzoic acid

Standard CAS: 80573-04-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80573-04-2
Multi CAS
Yes
Molecular Formula
C17H15N3O6
Molecular Weight
357.320000
Exact Mass
357.096085
InChI
InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,21H,7-8H2,(H,18,24)(H,22,23)(H,25,26)
InChIKey
IPOKCKJONYRRHP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
4
Molar refractivity
90.27
TPSA
148.65

LogP / Solubility

WLOGP
2.71
MLOGP
2.4
XLogP3
2.2
Consensus LogP
2.44
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.07
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)
-2.98

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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