TL;DR: DL-Homocysteine, N-(((carboxymethyl)thio)acetyl)- (CAS 121213-21-6) is a chemical compound with molecular formula C8H13NO5S2 and molecular weight 267.02353 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[2-(carboxymethylsulfanyl)acetyl]amino]-4-sulfanylbutanoic acid
Also Known As: Erdosteine thioacid, N-Thiodiylglycolylhomocystein, DL-2-((((Carboxymethyl)thio)acetyl)amino)-4-mercaptobutanoic acid, DL-Homocysteine, N-(((carboxymethyl)thio)acetyl)-, N-(((Carboxymethyl)thio)acetyl)-DL-homocysteine
| Molecular Formula | C8H13NO5S2 |
| Molecular Weight | 267.02353 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 267.02353 Da |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
| SMILES | C(CS)[C@@H](C(=O)O)NC(=O)CSCC(=O)O |
| InChIKey | JXVPSTRNHZDJFF-YFKPBYRVSA-N |
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DL-Homocysteine, N-(((carboxymethyl)thio)acetyl)-. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for DL-Homocysteine, N-(((carboxymethyl)thio)acetyl)-. Following Lipinski's Rule of Five, DL-Homocysteine, N-(((carboxymethyl)thio)acetyl)- has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of DL-Homocysteine, N-(((carboxymethyl)thio)acetyl)- is 121213-21-6.
The molecular formula of DL-Homocysteine, N-(((carboxymethyl)thio)acetyl)- is C8H13NO5S2.
The molecular weight of DL-Homocysteine, N-(((carboxymethyl)thio)acetyl)- is 267.02353 g/mol.
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