CAS RN: 229970-94-9
N-METHOXY-N-METHYL-2-THIOPHENECARBOXAMIDE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250404 | 1g / 5g / 25g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS229970-94-9
- Purity/Analytical Methods: >99.0%
229970-94-9 / N-methoxy-N-methylthiophene-2-carboxamide
Basic Information
CAS
229970-94-9
Multi CAS
No
Molecular Formula
C7H9NO2S
Molecular Weight
171.220000
Exact Mass
171.035400
SMILES
CN(C(=O)C1=CC=CS1)OC
InChI
InChI=1S/C7H9NO2S/c1-8(10-2)7(9)6-4-3-5-11-6/h3-5H,1-2H3
InChIKey
DGMGILGPRYQSOX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
43.42
TPSA
29.54
LogP / Solubility
WLOGP
1.38
MLOGP
1.21
XLogP3
0.8
Consensus LogP
1.13
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.16
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)
-2.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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