TL;DR: L-Valine, 3,3'-dithiobis- (CAS 113626-33-8) is a chemical compound with molecular formula C10H20N2O4S2 and molecular weight 296.08646 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2-amino-3-[[(1R)-1-amino-1-carboxy-2-methylpropan-2-yl]disulfanyl]-3-methylbutanoic acid
Also Known As: Penicillamine disulfide, L-, L-penicillamine disulfide, 3,3'-Dithiobis-L-valine, Penicillamine disulfide, L-Valine, 3,3'-dithiobis-
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H20N2O4S2 |
| Molecular Weight | 296.08646 g/mol |
| XLogP | -5.0 |
| Topological Polar Surface Area (TPSA) | 177.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 296.08646 Da |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
| SMILES | CC(C)([C@@H](C(=O)O)N)SSC(C)(C)[C@@H](C(=O)O)N |
| InChIKey | POYPKGFSZHXASD-PHDIDXHHSA-N |
The XLogP value of -5.0 indicates that L-Valine, 3,3'-dithiobis- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 177.0 Ų indicates high polarity, suggesting L-Valine, 3,3'-dithiobis- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, L-Valine, 3,3'-dithiobis- has 4 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 L-Valine, 3,3'-dithiobis- is 113626-33-8.
The molecular formula of L-Valine, 3,3'-dithiobis- is C10H20N2O4S2.
The molecular weight of L-Valine, 3,3'-dithiobis- is 296.08646 g/mol.
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