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CAS 39880-77-8 2-Thiophenecarboxamide,N-methyl-(6CI,7CI,9CI) molecular structure lightbox
CAS RN: 39880-77-8

2-Thiophenecarboxamide,N-methyl-(6CI,7CI,9CI)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250912 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS39880-77-8
  • Purity/Analytical Methods: >99.0%
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39880-77-8 / N-methylthiophene-2-carboxamide

Standard CAS: 39880-77-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39880-77-8
Multi CAS
Yes
Molecular Formula
C6H7NOS
Molecular Weight
141.190000
Exact Mass
141.024835
InChI
InChI=1S/C6H7NOS/c1-7-6(8)5-3-2-4-9-5/h2-4H,1H3,(H,7,8)
InChIKey
JNUIOYAYNFFHTC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
37.71
TPSA
29.1

LogP / Solubility

WLOGP
1.11
MLOGP
0.97
XLogP3
1.3
Consensus LogP
1.13
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.52
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.62
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)
-2.79

Drug-likeness / Medicinal Chemistry

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

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