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CAS 666715-71-5 4H-Cyclopenta[b]thiophene-3-carboxamide,2-amino-5,6-dihydro-N-methyl-(9CI) molecular structure lightbox
CAS RN: 666715-71-5

4H-Cyclopenta[b]thiophene-3-carboxamide,2-amino-5,6-dihydro-N-methyl-(9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250331 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS666715-71-5
  • Purity/Analytical Methods: >99.0%
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666715-71-5 / 2-amino-N-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Standard CAS: 666715-71-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
666715-71-5
Multi CAS
No
Molecular Formula
C9H12N2OS
Molecular Weight
196.270000
Exact Mass
196.067034
InChI
InChI=1S/C9H12N2OS/c1-11-9(12)7-5-3-2-4-6(5)13-8(7)10/h2-4,10H2,1H3,(H,11,12)
InChIKey
RQJPAUVICSRWMC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.44
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.15
TPSA
55.12

LogP / Solubility

WLOGP
1.18
MLOGP
1.04
XLogP3
1.8
Consensus LogP
1.34
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.02
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-3.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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