CAS RN: 76655-99-7
3-Methylthiophene-2-carboxamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250526 | 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: LINM913656
76655-99-7 / 3-methylthiophene-2-carboxamide
Basic Information
CAS
76655-99-7
Multi CAS
No
Molecular Formula
C6H7NOS
Molecular Weight
141.190000
Exact Mass
141.024835
InChI
InChI=1S/C6H7NOS/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H2,7,8)
InChIKey
QZDTWJRYMXQXBX-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
37.57
TPSA
43.09
LogP / Solubility
WLOGP
1.16
MLOGP
1.01
XLogP3
1.2
Consensus LogP
1.12
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.66
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)
-2.76
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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