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CAS 201942-90-7 (R)-2-(2-Hydroxyphenyl)thiazolidine-4-carboxylic acid molecular structure lightbox
CAS RN: 201942-90-7

(R)-2-(2-Hydroxyphenyl)thiazolidine-4-carboxylic acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250817 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS201942-90-7
  • Purity/Analytical Methods: >99.0%
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201942-90-7 / (4R)-2-(2-hydroxyphenyl)-1,3-thiazolidine-4-carboxylic acid

Standard CAS: 201942-90-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
201942-90-7
Multi CAS
No
Molecular Formula
C10H11NO3S
Molecular Weight
225.270000
Exact Mass
225.045964
SMILES
C1[C@H](NC(S1)C2=CC=CC=C2O)C(=O)O
InChI
InChI=1S/C10H11NO3S/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-4,7,9,11-12H,5H2,(H,13,14)/t7-,9?/m0/s1
InChIKey
APAUAYLVDHNFBF-JAVCKPHESA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
3
Molar refractivity
57.87
TPSA
69.56

LogP / Solubility

WLOGP
1.18
MLOGP
1.04
XLogP3
-1.2
Consensus LogP
0.34
Log S (ESOL)
-2.14
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.34
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.26

Drug-likeness / Medicinal Chemistry

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

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