TL;DR: Biotinylamidoethylacetamide (CAS 111790-37-5) is a chemical compound with molecular formula C12H22N4O2S and molecular weight 286.14636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(2-aminoethyl)pentanamide
Also Known As: Biotin-EDA, N-(2-Aminoethyl)biotinamide, BAEA, (+)-Biotin-amine, D-Biotin-EDA
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H22N4O2S |
| Molecular Weight | 286.14636 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 122.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 286.14636 Da |
| Heavy Atoms | 19 |
| Complexity | 340.0 |
| SMILES | C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCN)NC(=O)N2 |
| InChIKey | BNCJEZWKLUBUBB-QXEWZRGKSA-N |
The XLogP value of -0.9 indicates that Biotinylamidoethylacetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Biotinylamidoethylacetamide. Following Lipinski's Rule of Five, Biotinylamidoethylacetamide has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Biotinylamidoethylacetamide is 111790-37-5.
The molecular formula of Biotinylamidoethylacetamide is C12H22N4O2S.
The molecular weight of Biotinylamidoethylacetamide is 286.14636 g/mol.
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