CAS RN: 1236066-84-4
5-BROMO-N-METHOXY-N-METHYLTHIOPHENE-2-CARBOXAMIDE(WXG03022)
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.20250310 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1236066-84-4
- Purity/Analytical Methods: >99.0%
1236066-84-4 / 5-bromo-N-methoxy-N-methylthiophene-2-carboxamide
Basic Information
CAS
1236066-84-4
Multi CAS
No
Molecular Formula
C7H8BrNO2S
Molecular Weight
250.120000
Exact Mass
248.945910
SMILES
CN(C(=O)C1=CC=C(S1)Br)OC
InChI
InChI=1S/C7H8BrNO2S/c1-9(11-2)7(10)5-3-4-6(8)12-5/h3-4H,1-2H3
InChIKey
NULFTZUWYYNLDO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
51.12
TPSA
29.54
LogP / Solubility
WLOGP
2.14
MLOGP
1.89
XLogP3
2.5
Consensus LogP
2.18
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.31
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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