2-((Hexahydro-1-methyl-2H-azepin-2-ylidene)amino)-3-mercapto-3-methylbutanoic acid
TL;DR: 2-((Hexahydro-1-methyl-2H-azepin-2-ylidene)amino)-3-mercapto-3-methylbutanoic acid (CAS 105099-15-8) is a chemical compound with molecular formula C12H22N2O2S and molecular weight 258.1402 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-3-methyl-2-[(1-methylazepan-2-ylidene)amino]-3-sulfanylbutanoic acid
Also Known As: 2-((Hexahydro-1-methyl-2H-azepin-2-ylidene)amino)-3-mercapto-3-methylbutanoic acid, Butanoic acid, 2-((hexahydro-1-methyl-2H-azepin-2-ylidene)amino)-3-mercapto-3-methyl-, (2R)-3-methyl-2-[(1-methylazepan-2-ylidene)amino]-3-sulfanylbutanoic acid, BRN 5535310
Technical Specifications
| Molecular Formula | C12H22N2O2S |
| Molecular Weight | 258.1402 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 53.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.1402 Da |
| Heavy Atoms | 17 |
| Complexity | 316.0 |
| SMILES | CC(C)([C@@H](C(=O)O)N=C1CCCCCN1C)S |
| InChIKey | NEQHFYKZGNVBDG-SNVBAGLBSA-N |
Chemical Property Profile of 2-((Hexahydro-1-methyl-2H-azepin-2-ylidene)amino)-3-mercapto-3-methylbutanoic acid
Property Insights of 2-((Hexahydro-1-methyl-2H-azepin-2-ylidene)amino)-3-mercapto-3-methylbutanoic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((Hexahydro-1-methyl-2H-azepin-2-ylidene)amino)-3-mercapto-3-methylbutanoic acid. With a topological polar surface area (TPSA) of 53.9 Ų, 2-((Hexahydro-1-methyl-2H-azepin-2-ylidene)amino)-3-mercapto-3-methylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((Hexahydro-1-methyl-2H-azepin-2-ylidene)amino)-3-mercapto-3-methylbutanoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-((Hexahydro-1-methyl-2H-azepin-2-ylidene)amino)-3-mercapto-3-methylbutanoic acid?
The CAS number of 2-((Hexahydro-1-methyl-2H-azepin-2-ylidene)amino)-3-mercapto-3-methylbutanoic acid is 105099-15-8.
What is the molecular formula of 2-((Hexahydro-1-methyl-2H-azepin-2-ylidene)amino)-3-mercapto-3-methylbutanoic acid?
The molecular formula of 2-((Hexahydro-1-methyl-2H-azepin-2-ylidene)amino)-3-mercapto-3-methylbutanoic acid is C12H22N2O2S.
What is the molecular weight of 2-((Hexahydro-1-methyl-2H-azepin-2-ylidene)amino)-3-mercapto-3-methylbutanoic acid?
The molecular weight of 2-((Hexahydro-1-methyl-2H-azepin-2-ylidene)amino)-3-mercapto-3-methylbutanoic acid is 258.1402 g/mol.
Where can I buy 2-((Hexahydro-1-methyl-2H-azepin-2-ylidene)amino)-3-mercapto-3-methylbutanoic acid?
You can request a quote for 2-((Hexahydro-1-methyl-2H-azepin-2-ylidene)amino)-3-mercapto-3-methylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((Hexahydro-1-methyl-2H-azepin-2-ylidene)amino)-3-mercapto-3-methylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-((Hexahydro-1-methyl-2H-azepin-2-ylidene)amino)-3-mercapto-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.