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CAS 339163-65-4 troponin I type 3 (cardiac) molecular structure lightbox
CAS RN: 339163-65-4

troponin I type 3 (cardiac)

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250728 100mg In stock Shenzhen Inquiry
Batchno.20250423 250mg Out of stock Inquiry
Batchno.20250202 25mg In stock Shanghai Inquiry
Batchno.20250127 50mg In stock Shanghai Inquiry
Batchno.20250728 5mg / 10mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: starshine_CAS339163-65-4
  • Purity/Analytical Methods: >99.0%
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339163-65-4 / 2-(2-oxo-2-thiophen-2-ylethyl)sulfanyl-4,6-dithiophen-2-ylpyridine-3-carbonitrile

Standard CAS: 339163-65-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
339163-65-4
Multi CAS
Yes
Molecular Formula
C20H12N2OS4
Molecular Weight
424.600000
Exact Mass
423.983248
InChI
InChI=1S/C20H12N2OS4/c21-11-14-13(17-4-1-7-24-17)10-15(18-5-2-8-25-18)22-20(14)27-12-16(23)19-6-3-9-26-19/h1-10H,12H2
InChIKey
DCCYTKKDAZEVLY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
21
Fraction Csp3
0.05
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
114.95
TPSA
53.75

LogP / Solubility

WLOGP
6.45
MLOGP
5.7
XLogP3
5.6
Consensus LogP
5.92
Log S (ESOL)
-6.71
Class (ESOL)
Insoluble
Log S (Ali)
-7.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.49
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.73

Drug-likeness / Medicinal Chemistry

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

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