2-((tert-Butoxycarbonyl)amino)-3-(tetrahydro-2H-thiopyran-4-yl)propanoic acid
TL;DR: 2-((tert-Butoxycarbonyl)amino)-3-(tetrahydro-2H-thiopyran-4-yl)propanoic acid (CAS 494210-67-2) is a chemical compound with molecular formula C13H23NO4S and molecular weight 289.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(thian-4-yl)propanoic acid
Also Known As: 2-N-Boc-Amino-3- propionicacid, 2-N-BOC-AMINO-3-(4-TETRAHYDROTHIOPYRANYL)PROPIONIC ACID, 2-((tert-Butoxycarbonyl)amino)-3-(tetrahydro-2H-thiopyran-4-yl)propanoic acid, 210B672, 1-phenyl-3-methyl-4-dimethylaminomethylene-5-pyrazolone
| Molecular Formula | C13H23NO4S |
|---|---|
| Molecular Weight | 289.13 g/mol |
| LogP | 2.4976 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.13477 |
| Heavy Atoms | 19 |
| Complexity | 321.09512 |
Chemical Identifiers
| CAS Number | 494210-67-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC1CCSCC1)C(=O)O |
Product Overview
2-((tert-Butoxycarbonyl)amino)-3-(tetrahydro-2H-thiopyran-4-yl)propanoic acid (CAS 494210-67-2), with molecular formula C13H23NO4S and molecular weight 289.13 g/mol. IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(thian-4-yl)propanoic acid.
Chemical Property Profile of 2-((tert-Butoxycarbonyl)amino)-3-(tetrahydro-2H-thiopyran-4-yl)propanoic acid
Property Insights of 2-((tert-Butoxycarbonyl)amino)-3-(tetrahydro-2H-thiopyran-4-yl)propanoic acid
The XLogP value of 2.4976 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((tert-Butoxycarbonyl)amino)-3-(tetrahydro-2H-thiopyran-4-yl)propanoic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((tert-Butoxycarbonyl)amino)-3-(tetrahydro-2H-thiopyran-4-yl)propanoic acid. Following Lipinski's Rule of Five, 2-((tert-Butoxycarbonyl)amino)-3-(tetrahydro-2H-thiopyran-4-yl)propanoic 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
Frequently Asked Questions
What is the CAS number of 2-((tert-Butoxycarbonyl)amino)-3-(tetrahydro-2H-thiopyran-4-yl)propanoic acid?
The CAS number of 2-((tert-Butoxycarbonyl)amino)-3-(tetrahydro-2H-thiopyran-4-yl)propanoic acid is 494210-67-2.
What is the molecular formula of 2-((tert-Butoxycarbonyl)amino)-3-(tetrahydro-2H-thiopyran-4-yl)propanoic acid?
The molecular formula of 2-((tert-Butoxycarbonyl)amino)-3-(tetrahydro-2H-thiopyran-4-yl)propanoic acid is C13H23NO4S.
What is the molecular weight of 2-((tert-Butoxycarbonyl)amino)-3-(tetrahydro-2H-thiopyran-4-yl)propanoic acid?
The molecular weight of 2-((tert-Butoxycarbonyl)amino)-3-(tetrahydro-2H-thiopyran-4-yl)propanoic acid is 289.13 g/mol.
Where can I buy 2-((tert-Butoxycarbonyl)amino)-3-(tetrahydro-2H-thiopyran-4-yl)propanoic acid?
You can request a quote for 2-((tert-Butoxycarbonyl)amino)-3-(tetrahydro-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-(tetrahydro-2H-thiopyran-4-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((tert-Butoxycarbonyl)amino)-3-(tetrahydro-2H-thiopyran-4-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.