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CAS 196930-42-4 2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid molecular structure lightbox
CAS RN: 196930-42-4

2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250223 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS196930-42-4
  • Purity/Analytical Methods: >99.0%
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196930-42-4 / (4R)-2-pyridin-2-yl-1,3-thiazolidine-4-carboxylic acid

Standard CAS: 196930-42-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
196930-42-4
Multi CAS
No
Molecular Formula
C9H10N2O2S
Molecular Weight
210.260000
Exact Mass
210.046299
SMILES
C1[C@H](NC(S1)C2=CC=CC=N2)C(=O)O
InChI
InChI=1S/C9H10N2O2S/c12-9(13)7-5-14-8(11-7)6-3-1-2-4-10-6/h1-4,7-8,11H,5H2,(H,12,13)/t7-,8?/m0/s1
InChIKey
FRABGDHEKOTVGC-JAMMHHFISA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
54
TPSA
62.22

LogP / Solubility

WLOGP
0.87
MLOGP
0.77
XLogP3
-1.8
Consensus LogP
-0.05
Log S (ESOL)
-1.88
Class (ESOL)
Soluble
Log S (Ali)
-1.91
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
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)
-3.39

Drug-likeness / Medicinal Chemistry

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

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