3-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoic acid
TL;DR: 3-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoic acid (CAS 500770-66-1) is a chemical compound with molecular formula C12H17NO4S and molecular weight 271.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-2-ylpropanoic acid
Also Known As: 3-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoic acid, 3-[(tert-butoxycarbonyl)amino]-3-(2-thienyl)propanoic acid, 3-(Boc-amino)-3-(2-thienyl)propionic acid, 3-tert-Butoxycarbonylamino-3-thiophen-2-yl-propionic acid, 7510AB
| Molecular Formula | C12H17NO4S |
|---|---|
| Molecular Weight | 271.09 g/mol |
| LogP | 2.7886 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.08783 |
| Heavy Atoms | 18 |
| Complexity | 408.21194 |
Chemical Identifiers
| CAS Number | 500770-66-1 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=CS1 |
Product Overview
3-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoic acid (CAS 500770-66-1), with molecular formula C12H17NO4S and molecular weight 271.09 g/mol. IUPAC: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-2-ylpropanoic acid.
Chemical Property Profile of 3-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoic acid
Property Insights of 3-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoic acid
The XLogP value of 2.7886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoic acid. Following Lipinski's Rule of Five, 3-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-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 3-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoic acid?
The CAS number of 3-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoic acid is 500770-66-1.
What is the molecular formula of 3-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoic acid?
The molecular formula of 3-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoic acid is C12H17NO4S.
What is the molecular weight of 3-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoic acid?
The molecular weight of 3-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoic acid is 271.09 g/mol.
Where can I buy 3-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoic acid?
You can request a quote for 3-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-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 3-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((tert-Butoxycarbonyl)amino)-3-(thiophen-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.