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CAS 130849-58-0 Z-321 molecular structure lightbox
CAS RN: 130849-58-0

Z-321

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2 package records0 with current stock2 grade groups
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Batchno.20250721 1mg / 5mg Out of stock 15 business days Inquiry
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  • Product code: starshine_CAS130849-58-0
  • Purity/Analytical Methods: >99.0%
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130849-58-0 / 2-(2,3-dihydro-1H-inden-2-yl)-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone

Standard CAS: 130849-58-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130849-58-0
Multi CAS
No
Molecular Formula
C19H24N2O2S
Molecular Weight
344.500000
Exact Mass
344.155849
SMILES
C1CCN(C1)C(=O)[C@@H]2CSCN2C(=O)CC3CC4=CC=CC=C4C3
InChI
InChI=1S/C19H24N2O2S/c22-18(11-14-9-15-5-1-2-6-16(15)10-14)21-13-24-12-17(21)19(23)20-7-3-4-8-20/h1-2,5-6,14,17H,3-4,7-13H2/t17-/m0/s1
InChIKey
GDOVFSONSLOIAK-KRWDZBQOSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.58
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
95.73
TPSA
40.62

LogP / Solubility

WLOGP
2.32
MLOGP
2.05
XLogP3
2.5
Consensus LogP
2.29
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.18
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5

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