TL;DR: Methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoate (CAS 444996-03-6) is a chemical compound with molecular formula C8H16N2O4S2 and molecular weight 268.05515 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoate
Also Known As: Dimethyl cystinate, Dimethyl cystine, 3h-cystine dimethyl ester, L-Cystine, dimethyl ester, CYSTINE, DIMETHYL ESTER
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C8H16N2O4S2 |
| Molecular Weight | 268.05515 g/mol |
| XLogP | -1.1 |
| Topological Polar Surface Area (TPSA) | 155.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 268.05515 Da |
| Heavy Atoms | 16 |
| Complexity | 216.0 |
| SMILES | COC(=O)C(CSSCC(C(=O)OC)N)N |
| InChIKey | NXPNPYNCKSWEHA-UHFFFAOYSA-N |
The XLogP value of -1.1 indicates that Methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting Methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoate is 444996-03-6.
The molecular formula of Methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoate is C8H16N2O4S2.
The molecular weight of Methyl 2-amino-3-[(2-amino-3-methoxy-3-oxopropyl)disulfanyl]propanoate is 268.05515 g/mol.
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