5-mercapto-3-methyl-L-histidine
TL;DR: 5-mercapto-3-methyl-L-histidine (CAS 108418-13-9) is a chemical compound with molecular formula C7H11N3O2S and molecular weight 201.0572 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-amino-3-(3-methyl-5-sulfanylimidazol-4-yl)propanoic acid
Also Known As: Ovothiol A, L-Ovothiol A, starbld0008245, 1-N-Methyl-4-mercaptohistidine, 5-mercapto-3-methylhistidine
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H11N3O2S |
| Molecular Weight | 201.0572 g/mol |
| XLogP | -2.8 |
| Topological Polar Surface Area (TPSA) | 82.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.0572 Da |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
| SMILES | CN1C=NC(=C1C[C@@H](C(=O)O)N)S |
| InChIKey | XWKKYVJREGXHFO-BYPYZUCNSA-N |
Chemical Property Profile of 5-mercapto-3-methyl-L-histidine
Property Insights of 5-mercapto-3-methyl-L-histidine
The XLogP value of -2.8 indicates that 5-mercapto-3-methyl-L-histidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-mercapto-3-methyl-L-histidine. Following Lipinski's Rule of Five, 5-mercapto-3-methyl-L-histidine has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-mercapto-3-methyl-L-histidine?
The CAS number of 5-mercapto-3-methyl-L-histidine is 108418-13-9.
What is the molecular formula of 5-mercapto-3-methyl-L-histidine?
The molecular formula of 5-mercapto-3-methyl-L-histidine is C7H11N3O2S.
What is the molecular weight of 5-mercapto-3-methyl-L-histidine?
The molecular weight of 5-mercapto-3-methyl-L-histidine is 201.0572 g/mol.
Where can I buy 5-mercapto-3-methyl-L-histidine?
You can request a quote for 5-mercapto-3-methyl-L-histidine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-mercapto-3-methyl-L-histidine?
Yes, CoreyChem provides custom synthesis services for 5-mercapto-3-methyl-L-histidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.