![3-[(Tert-butoxycarbonyl)amino]-3-(4-ethoxyphenyl)propanoic acid structure](/static/products/4535/453557-72-7.webp)
3-[(Tert-butoxycarbonyl)amino]-3-(4-ethoxyphenyl)propanoic acid
TL;DR: 3-[(Tert-butoxycarbonyl)amino]-3-(4-ethoxyphenyl)propanoic acid (CAS 453557-72-7) is a chemical compound with molecular formula C16H23NO5 and molecular weight 309.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: 3-[(tert-butoxycarbonyl)amino]-3-(4-ethoxyphenyl)propanoic acid, 3-((tert-Butoxycarbonyl)amino)-3-(4-ethoxyphenyl)propanoic acid, butoxycarbonylaminoethoxyphenylpropanoicacid, 3-[(tert-Butoxycarbonyl)amino]-3-(4-ethoxyphenyl)-propanoic acid, 3-{[(tert-butoxy)carbonyl]amino}-3-(4-ethoxyphenyl)propanoic acid
| Molecular Formula | C16H23NO5 |
|---|---|
| Molecular Weight | 309.16 g/mol |
| LogP | 3.1258 |
| Topological Polar Surface Area | 84.86 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.15762 |
| Heavy Atoms | 22 |
| Complexity | 504.2626 |
Chemical Identifiers
| CAS Number | 453557-72-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)OC(C)(C)C |
Product Overview
3-[(Tert-butoxycarbonyl)amino]-3-(4-ethoxyphenyl)propanoic acid (CAS 453557-72-7), with molecular formula C16H23NO5 and molecular weight 309.16 g/mol. IUPAC: 3-(4-ethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.
Chemical Property Profile of 3-[(Tert-butoxycarbonyl)amino]-3-(4-ethoxyphenyl)propanoic acid
Property Insights of 3-[(Tert-butoxycarbonyl)amino]-3-(4-ethoxyphenyl)propanoic acid
The XLogP value of 3.1258 indicates that 3-[(Tert-butoxycarbonyl)amino]-3-(4-ethoxyphenyl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Tert-butoxycarbonyl)amino]-3-(4-ethoxyphenyl)propanoic acid. Following Lipinski's Rule of Five, 3-[(Tert-butoxycarbonyl)amino]-3-(4-ethoxyphenyl)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-(4-ethoxyphenyl)propanoic acid?
The CAS number of 3-[(Tert-butoxycarbonyl)amino]-3-(4-ethoxyphenyl)propanoic acid is 453557-72-7.
What is the molecular formula of 3-[(Tert-butoxycarbonyl)amino]-3-(4-ethoxyphenyl)propanoic acid?
The molecular formula of 3-[(Tert-butoxycarbonyl)amino]-3-(4-ethoxyphenyl)propanoic acid is C16H23NO5.
What is the molecular weight of 3-[(Tert-butoxycarbonyl)amino]-3-(4-ethoxyphenyl)propanoic acid?
The molecular weight of 3-[(Tert-butoxycarbonyl)amino]-3-(4-ethoxyphenyl)propanoic acid is 309.16 g/mol.
Where can I buy 3-[(Tert-butoxycarbonyl)amino]-3-(4-ethoxyphenyl)propanoic acid?
You can request a quote for 3-[(Tert-butoxycarbonyl)amino]-3-(4-ethoxyphenyl)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-(4-ethoxyphenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Tert-butoxycarbonyl)amino]-3-(4-ethoxyphenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.