TL;DR: Biotinylarginylchloromethane (CAS 142009-29-8) is a chemical compound with molecular formula C17H29ClN6O3S and molecular weight 432.17105 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-[(3R)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]pentanamide
Also Known As: Biotinylarginylchloromethane, 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(3R)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]pentanamide, 1H-Thieno(3,4-d)imidazole-4-pentanamide, N-(4-((aminoiminomethyl)amino)-1-(chloroacetyl)butyl)hexahydro-2-oxo-, (3aS-(3aalpha,4beta(R*),6aalpha))-, N-(6-Carbamimidamido-1-chloro-2-oxohexan-3-yl)-5-(2-hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl)pentanimidic acid, N-[(3R)-6-(Carbamimidoylamino)-1-chloro-2-oxohexan-3-yl]-5-[(3aR,6S,6aS)-2-hydroxy-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-6-yl]pentanimidic acid
| Molecular Formula | C17H29ClN6O3S |
| Molecular Weight | 432.17105 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 177.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 432.17105 Da |
| Heavy Atoms | 28 |
| Complexity | 601.0 |
| SMILES | C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)N[C@H](CCCN=C(N)N)C(=O)CCl)NC(=O)N2 |
| InChIKey | RIYCJPZSFRVCIE-MPXAEWJHSA-N |
The XLogP value of -0.3 indicates that Biotinylarginylchloromethane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 177.0 Ų indicates high polarity, suggesting Biotinylarginylchloromethane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Biotinylarginylchloromethane has 5 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 Biotinylarginylchloromethane is 142009-29-8.
The molecular formula of Biotinylarginylchloromethane is C17H29ClN6O3S.
The molecular weight of Biotinylarginylchloromethane is 432.17105 g/mol.
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