![CAS 1014691-61-2 3-[[[2-Methoxy-4-(phenylamino)phenyl]amino]sulfonyl]-2-thiophenecarboxylicacidmethylester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1014691-61-2.gif)
CAS RN: 1014691-61-2
3-[[[2-Methoxy-4-(phenylamino)phenyl]amino]sulfonyl]-2-thiophenecarboxylicacidmethylester
Product Availability
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11 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250219 | 100mg | Out of stock | Inquiry | |
| Batchno.20260312 | 10mg | Out of stock | Inquiry | |
| Batchno.20251120 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250707 | 25mg | Out of stock | Inquiry | |
| Batchno.20250303 | 50mg | Out of stock | Inquiry | |
| Batchno.20251003 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS1014691-61-2
- Purity/Analytical Methods: >99.0%
1014691-61-2 / methyl 3-[(4-anilino-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylate
GSK0660 | GSK 0660 | GSK-0660
Basic Information
CAS
1014691-61-2
Multi CAS
No
Molecular Formula
C19H18N2O5S2
Molecular Weight
418.500000
Exact Mass
418.065714
SMILES
COC1=C(C=CC(=C1)NC2=CC=CC=C2)NS(=O)(=O)C3=C(SC=C3)C(=O)OC
InChI
InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3
InChIKey
NDFKBGWLUHKMFY-UHFFFAOYSA-N
Synonyms
GSK0660
GSK 0660
GSK-0660
methyl 3-[(4-anilino-2-methoxy-phenyl)sulfamoyl]thiophene-2-carboxylate
methyl 3-((4-anilino-2-methoxy-phenyl)sulfamoyl)thiophene-2-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
17
Fraction Csp3
0.11
Rotatable bonds
7
H-bond acceptors
7
H-bond donors
2
Molar refractivity
109.19
TPSA
93.73
LogP / Solubility
WLOGP
4.09
MLOGP
3.62
XLogP3
3.8
Consensus LogP
3.84
Log S (ESOL)
-5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.61
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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