TL;DR: Methyl 2-([(3-hydroxypropyl)carbamoyl]amino)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate (CAS 903187-76-8) is a chemical compound with molecular formula C13H18N2O4S and molecular weight 298.09872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(3-hydroxypropylcarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Also Known As: Methyl 2-([(3-hydroxypropyl)carbamoyl]amino)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-(3-(3-hydroxypropyl)ureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, METHYL 2-({[(3-HYDROXYPROPYL)AMINO]CARBONYL}AMINO)-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATE, methyl 2-(3-hydroxypropylcarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate, methyl 2-{[(3-hydroxypropyl)carbamoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
| Molecular Formula | C13H18N2O4S |
| Molecular Weight | 298.09872 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.09872 Da |
| Heavy Atoms | 20 |
| Complexity | 366.0 |
| SMILES | COC(=O)C1=C(SC2=C1CCC2)NC(=O)NCCCO |
| InChIKey | SVUICXKMRISOJU-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-([(3-hydroxypropyl)carbamoyl]amino)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-([(3-hydroxypropyl)carbamoyl]amino)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, Methyl 2-([(3-hydroxypropyl)carbamoyl]amino)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methyl 2-([(3-hydroxypropyl)carbamoyl]amino)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate is 903187-76-8.
The molecular formula of Methyl 2-([(3-hydroxypropyl)carbamoyl]amino)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate is C13H18N2O4S.
The molecular weight of Methyl 2-([(3-hydroxypropyl)carbamoyl]amino)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate is 298.09872 g/mol.
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