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CAS 85803-49-2 2-THIOPHEN-2-YL-PIPERAZINE molecular structure lightbox
CAS RN: 85803-49-2

2-THIOPHEN-2-YL-PIPERAZINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250929 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS85803-49-2
  • Purity/Analytical Methods: >99.0%
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85803-49-2 / 2-thiophen-2-ylpiperazine

Standard CAS: 85803-49-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85803-49-2
Multi CAS
Yes
Molecular Formula
C8H12N2S
Molecular Weight
168.260000
Exact Mass
168.072120
InChI
InChI=1S/C8H12N2S/c1-2-8(11-5-1)7-6-9-3-4-10-7/h1-2,5,7,9-10H,3-4,6H2
InChIKey
BFVCDPJJFUPNAQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
47.93
TPSA
24.06

LogP / Solubility

WLOGP
0.98
MLOGP
0.86
XLogP3
0.4
Consensus LogP
0.75
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.65
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
Class (SILICOS-IT)
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)
-3.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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