Valine, 3-mercapto-N-(3,4,5,6-tetrahydro-2-pyridinyl)-
TL;DR: Valine, 3-mercapto-N-(3,4,5,6-tetrahydro-2-pyridinyl)- (CAS 105112-32-1) is a chemical compound with molecular formula C10H18N2O2S and molecular weight 230.1089 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-3-methyl-3-sulfanyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)butanoic acid
Also Known As: Valine, 3-mercapto-N-(3,4,5,6-tetrahydro-2-pyridinyl)-, 3-Mercapto-N-(3,4,5,6-tetrahydro-2-pyridinyl)valine, 3-Sulfanyl-N-(3,4,5,6-tetrahydropyridin-2-yl)-L-valine, (2R)-3-methyl-3-sulfanyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)butanoic acid, BRN 5526025
Technical Specifications
| Molecular Formula | C10H18N2O2S |
| Molecular Weight | 230.1089 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 62.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.1089 Da |
| Heavy Atoms | 15 |
| Complexity | 277.0 |
| SMILES | CC(C)([C@@H](C(=O)O)NC1=NCCCC1)S |
| InChIKey | CYVFFTFGKHVDNG-MRVPVSSYSA-N |
Chemical Property Profile of Valine, 3-mercapto-N-(3,4,5,6-tetrahydro-2-pyridinyl)-
Property Insights of Valine, 3-mercapto-N-(3,4,5,6-tetrahydro-2-pyridinyl)-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Valine, 3-mercapto-N-(3,4,5,6-tetrahydro-2-pyridinyl)-. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Valine, 3-mercapto-N-(3,4,5,6-tetrahydro-2-pyridinyl)-. Following Lipinski's Rule of Five, Valine, 3-mercapto-N-(3,4,5,6-tetrahydro-2-pyridinyl)- has 3 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 Valine, 3-mercapto-N-(3,4,5,6-tetrahydro-2-pyridinyl)-?
The CAS number of Valine, 3-mercapto-N-(3,4,5,6-tetrahydro-2-pyridinyl)- is 105112-32-1.
What is the molecular formula of Valine, 3-mercapto-N-(3,4,5,6-tetrahydro-2-pyridinyl)-?
The molecular formula of Valine, 3-mercapto-N-(3,4,5,6-tetrahydro-2-pyridinyl)- is C10H18N2O2S.
What is the molecular weight of Valine, 3-mercapto-N-(3,4,5,6-tetrahydro-2-pyridinyl)-?
The molecular weight of Valine, 3-mercapto-N-(3,4,5,6-tetrahydro-2-pyridinyl)- is 230.1089 g/mol.
Where can I buy Valine, 3-mercapto-N-(3,4,5,6-tetrahydro-2-pyridinyl)-?
You can request a quote for Valine, 3-mercapto-N-(3,4,5,6-tetrahydro-2-pyridinyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Valine, 3-mercapto-N-(3,4,5,6-tetrahydro-2-pyridinyl)-?
Yes, CoreyChem provides custom synthesis services for Valine, 3-mercapto-N-(3,4,5,6-tetrahydro-2-pyridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.