AC1MGBLE
6-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Also Known As: AK-968/37173258|SR-01000257809-1|6-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid|3-cyclohexene-1-carboxylic acid, 6-[[[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]amino]carbonyl]-|6-((3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl)cyclohex-3-enecarboxylic acid|6-([[3-(AMINOCARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIEN-2-YL]AMINO]CARBONYL)CYCLOHEX-3-ENE-1-CARBOXYLIC ACID|6-({[3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}carbonyl)-3-cyclohexene-1-carboxylic acid|6-({[3-(AMINOCARBONYL)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]AMINO}CARBONYL)-3-CYCLOHEXENE-1-CARBOXYLIC ACID|6-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic Acid|6-[N-(3-carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl]cyclohex-3 -enecarboxylic acid
| Molecular Formula | C17H20N2O4S |
|---|---|
| Molecular Weight | 348.11438 g/mol |
| LogP | 2.3313 |
| Topological Polar Surface Area | 109.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.11438 |
| Monoisotopic Mass | 348.11438 |
| Heavy Atoms | 24 |
| Complexity | 722.4179 |
Chemical Identifiers
| CAS Number | 354550-34-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3CC=CCC3C(=O)O)C(=O)N |
Product Overview
AC1MGBLE (CAS 354550-34-8), with molecular formula C17H20N2O4S and molecular weight 348.11438 g/mol. IUPAC: 6-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
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