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CAS 107902-67-0 Tazofelone, LY-213829 molecular structure lightbox
CAS RN: 107902-67-0

Tazofelone, LY-213829

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250903 5mg / 10mg / 25mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS107902-67-0
  • Purity/Analytical Methods: >99.0%
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107902-67-0 / 5-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-1,3-thiazolidin-4-one

Tazofelone | ly213829 | Tazofelona

Standard CAS: 107902-67-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
107902-67-0
Multi CAS
No
Molecular Formula
C18H27NO2S
Molecular Weight
321.500000
Exact Mass
321.176250
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2C(=O)NCS2
InChI
InChI=1S/C18H27NO2S/c1-17(2,3)12-7-11(9-14-16(21)19-10-22-14)8-13(15(12)20)18(4,5)6/h7-8,14,20H,9-10H2,1-6H3,(H,19,21)
InChIKey
ILMMRHUILQOQGP-UHFFFAOYSA-N
Synonyms
Tazofelone ly213829 Tazofelona LY-213829 VH2I1JN8Q1

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
93.6
TPSA
49.33

LogP / Solubility

WLOGP
3.72
MLOGP
3.29
XLogP3
5.1
Consensus LogP
4.04
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.88
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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