![3-[(tert-Butoxycarbonyl)amino]-3-(3-thienyl)-propanoic acid structure](/static/products/5007/500770-67-2.webp)
3-[(tert-Butoxycarbonyl)amino]-3-(3-thienyl)-propanoic acid
TL;DR: 3-[(tert-Butoxycarbonyl)amino]-3-(3-thienyl)-propanoic acid (CAS 500770-67-2) 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-3-ylpropanoic acid
Also Known As: 3-[(tert-Butoxycarbonyl)amino]-3-(3-thienyl)-propanoic acid, 3-(Boc-amino)-3-(thiophen-3-yl)propanoic acid, 3-((tert-Butoxycarbonyl)amino)-3-(thiophen-3-yl)propanoic acid, Boc-(R)-3-Amino-3-(3-thienyl)-propionic acid, Boc-(S)-3-Amino-3-(3-thienyl)-propionic acid
| 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 | 500770-67-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC(=O)O)C1=CSC=C1 |
Product Overview
3-[(tert-Butoxycarbonyl)amino]-3-(3-thienyl)-propanoic acid (CAS 500770-67-2), with molecular formula C12H17NO4S and molecular weight 271.09 g/mol. IUPAC: 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-thiophen-3-ylpropanoic acid.
Chemical Property Profile of 3-[(tert-Butoxycarbonyl)amino]-3-(3-thienyl)-propanoic acid
Property Insights of 3-[(tert-Butoxycarbonyl)amino]-3-(3-thienyl)-propanoic acid
The XLogP value of 2.7886 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(tert-Butoxycarbonyl)amino]-3-(3-thienyl)-propanoic acid. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(tert-Butoxycarbonyl)amino]-3-(3-thienyl)-propanoic acid. Following Lipinski's Rule of Five, 3-[(tert-Butoxycarbonyl)amino]-3-(3-thienyl)-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-(3-thienyl)-propanoic acid?
The CAS number of 3-[(tert-Butoxycarbonyl)amino]-3-(3-thienyl)-propanoic acid is 500770-67-2.
What is the molecular formula of 3-[(tert-Butoxycarbonyl)amino]-3-(3-thienyl)-propanoic acid?
The molecular formula of 3-[(tert-Butoxycarbonyl)amino]-3-(3-thienyl)-propanoic acid is C12H17NO4S.
What is the molecular weight of 3-[(tert-Butoxycarbonyl)amino]-3-(3-thienyl)-propanoic acid?
The molecular weight of 3-[(tert-Butoxycarbonyl)amino]-3-(3-thienyl)-propanoic acid is 271.09 g/mol.
Where can I buy 3-[(tert-Butoxycarbonyl)amino]-3-(3-thienyl)-propanoic acid?
You can request a quote for 3-[(tert-Butoxycarbonyl)amino]-3-(3-thienyl)-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-(3-thienyl)-propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(tert-Butoxycarbonyl)amino]-3-(3-thienyl)-propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.