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CAS 354812-17-2 SC-514 molecular structure lightbox
CAS RN: 354812-17-2

SC-514

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7 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250809 100mg Out of stock Inquiry
Batchno.20251116 10mg In stock Shanghai Inquiry
Batchno.20250616 1g Out of stock Inquiry
Batchno.20260519 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20250429 250mg Out of stock Inquiry
Batchno.20250317 50mg In stock Shanghai Inquiry
Batchno.20260504 5mg In stock Shanghai, Wuhan Inquiry
  • Product code: starshine_CAS354812-17-2
  • Purity/Analytical Methods: >99.0%
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354812-17-2 / 3-amino-5-thiophen-3-ylthiophene-2-carboxamide

Standard CAS: 354812-17-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
354812-17-2
Multi CAS
No
Molecular Formula
C9H8N2OS2
Molecular Weight
224.300000
Exact Mass
224.007805
InChI
InChI=1S/C9H8N2OS2/c10-6-3-7(5-1-2-13-4-5)14-8(6)9(11)12/h1-4H,10H2,(H2,11,12)
InChIKey
BMUACLADCKCNKZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
60.56
TPSA
69.11

LogP / Solubility

WLOGP
2.16
MLOGP
1.9
XLogP3
2
Consensus LogP
2.02
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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