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CAS 199113-98-9 Balaglitazone molecular structure lightbox
CAS RN: 199113-98-9

Balaglitazone

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250623 10mg In stock Inquiry
Batchno.20250119 1mg Out of stock Inquiry
Batchno.20260407 50mg In stock Inquiry
Batchno.20250927 5mg In stock Inquiry
Batchno.20251122 5mg / 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS199113-98-9
  • Purity/Analytical Methods: >99.0%
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199113-98-9 / 5-[[4-[(3-methyl-4-oxoquinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

Standard CAS: 199113-98-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
199113-98-9
Multi CAS
No
Molecular Formula
C20H17N3O4S
Molecular Weight
395.400000
Exact Mass
395.093977
SMILES
CN1C(=NC2=CC=CC=C2C1=O)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4
InChI
InChI=1S/C20H17N3O4S/c1-23-17(21-15-5-3-2-4-14(15)19(23)25)11-27-13-8-6-12(7-9-13)10-16-18(24)22-20(26)28-16/h2-9,16H,10-11H2,1H3,(H,22,24,26)
InChIKey
IETKPTYAGKZLKY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
16
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
1
Molar refractivity
106.38
TPSA
90.29

LogP / Solubility

WLOGP
2.41
MLOGP
2.14
XLogP3
2.7
Consensus LogP
2.42
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.54
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.42

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

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