![2-[(tert-butoxycarbonyl)amino]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)propanoic acid structure](/static/products/4942/494210-69-4.webp)
2-[(tert-butoxycarbonyl)amino]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)propanoic acid
TL;DR: 2-[(tert-butoxycarbonyl)amino]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)propanoic acid (CAS 494210-69-4) is a chemical compound with molecular formula C13H23NO6S and molecular weight 321.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,1-dioxothian-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: 2-[(tert-butoxycarbonyl)amino]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)propanoic acid, 3-(1,1-dioxothian-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid, 1-phenyl-3-methyl-4-dimethylaminomethylene-5-pyrazolone, 2-TERT-BUTOXYCARBONYLAMINO-3-(1,1-DIOXO-HEXAHYDRO-THIOPYRAN-4-YL)-PROPIONIC ACID, 2-[(tert-butoxy)carbonylamino]-3-(1,1-dioxothian-4-yl)propanoic acid
| Molecular Formula | C13H23NO6S |
|---|---|
| Molecular Weight | 321.12 g/mol |
| LogP | 1.1792 |
| Topological Polar Surface Area | 109.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.1246 |
| Heavy Atoms | 21 |
| Complexity | 479.2811 |
Chemical Identifiers
| CAS Number | 494210-69-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC1CCS(=O)(=O)CC1)C(=O)O |
Product Overview
2-[(tert-butoxycarbonyl)amino]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)propanoic acid (CAS 494210-69-4), with molecular formula C13H23NO6S and molecular weight 321.12 g/mol. IUPAC: 3-(1,1-dioxothian-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of 2-[(tert-butoxycarbonyl)amino]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)propanoic acid
Property Insights of 2-[(tert-butoxycarbonyl)amino]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)propanoic acid
The XLogP value of 1.1792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(tert-butoxycarbonyl)amino]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)propanoic acid. The TPSA of 109.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(tert-butoxycarbonyl)amino]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)propanoic acid. Following Lipinski's Rule of Five, 2-[(tert-butoxycarbonyl)amino]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)propanoic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(tert-butoxycarbonyl)amino]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)propanoic acid?
The CAS number of 2-[(tert-butoxycarbonyl)amino]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)propanoic acid is 494210-69-4.
What is the molecular formula of 2-[(tert-butoxycarbonyl)amino]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)propanoic acid?
The molecular formula of 2-[(tert-butoxycarbonyl)amino]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)propanoic acid is C13H23NO6S.
What is the molecular weight of 2-[(tert-butoxycarbonyl)amino]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)propanoic acid?
The molecular weight of 2-[(tert-butoxycarbonyl)amino]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)propanoic acid is 321.12 g/mol.
Where can I buy 2-[(tert-butoxycarbonyl)amino]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)propanoic acid?
You can request a quote for 2-[(tert-butoxycarbonyl)amino]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(tert-butoxycarbonyl)amino]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(tert-butoxycarbonyl)amino]-3-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.