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CAS 222404-25-3 (R)-2-(4-METHOXY-PHENYL)-THIAZOLIDINE-4-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 222404-25-3

(R)-2-(4-METHOXY-PHENYL)-THIAZOLIDINE-4-CARBOXYLIC ACID

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250226 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS222404-25-3
  • Purity/Analytical Methods: >99.0%
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222404-25-3 / (4R)-2-(4-methoxyphenyl)-1,3-thiazolidine-4-carboxylic acid

Standard CAS: 222404-25-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
222404-25-3
Multi CAS
No
Molecular Formula
C11H13NO3S
Molecular Weight
239.290000
Exact Mass
239.061614
SMILES
COC1=CC=C(C=C1)C2N[C@@H](CS2)C(=O)O
InChI
InChI=1S/C11H13NO3S/c1-15-8-4-2-7(3-5-8)10-12-9(6-16-10)11(13)14/h2-5,9-10,12H,6H2,1H3,(H,13,14)/t9-,10?/m0/s1
InChIKey
ZQRSXNJVEHLFCE-RGURZIINSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.75
TPSA
58.56

LogP / Solubility

WLOGP
1.48
MLOGP
1.31
XLogP3
-0.8
Consensus LogP
0.66
Log S (ESOL)
-2.34
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
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)
-3.13

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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