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CAS 101931-00-4 Hydroxy Pioglitazone (M-II) (Mixture of Diastereomers) molecular structure lightbox
CAS RN: 101931-00-4

Hydroxy Pioglitazone (M-II) (Mixture of Diastereomers)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260416 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS101931-00-4
  • Purity/Analytical Methods: >99.0%
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101931-00-4 / 5-[[4-[2-(5-ethyl-2-pyridinyl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-(4-(2-(5-ethylpyridin-2-yl)-2-hydroxyethoxy)benzyl)thiazolidine-2,4-dione | 5-[[4-[2-(5-ethylpyridin-2-yl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | 2-Hydroxypioglitazone

Standard CAS: 101931-00-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
101931-00-4
Multi CAS
Yes
Molecular Formula
C19H20N2O4S
Molecular Weight
372.400000
Exact Mass
372.114378
SMILES
CCC1=CN=C(C=C1)C(COC2=CC=C(C=C2)CC3C(=O)NC(=O)S3)O
InChI
InChI=1S/C19H20N2O4S/c1-2-12-5-8-15(20-10-12)16(22)11-25-14-6-3-13(4-7-14)9-17-18(23)21-19(24)26-17/h3-8,10,16-17,22H,2,9,11H2,1H3,(H,21,23,24)
InChIKey
RMTFRGFLVHAYCI-UHFFFAOYSA-N
Synonyms
5-(4-(2-(5-ethylpyridin-2-yl)-2-hydroxyethoxy)benzyl)thiazolidine-2,4-dione 5-[[4-[2-(5-ethylpyridin-2-yl)-2-hydroxyethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione 2-Hydroxypioglitazone HYDROXY PIOGLITAZONE (M-II) M77TY40AOT

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
99.13
TPSA
88.52

LogP / Solubility

WLOGP
2.65
MLOGP
2.35
XLogP3
2.6
Consensus LogP
2.53
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.53
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
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
Yes
Log Kp (skin permeation)
-3.11

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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