ethyl (3R)-3-amino-3-(4-chlorophenyl)propanoate
TL;DR: ethyl (3R)-3-amino-3-(4-chlorophenyl)propanoate (CAS 1217530-42-1) is a chemical compound with molecular formula C11H14ClNO2 and molecular weight 227.0713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (3R)-3-amino-3-(4-chlorophenyl)propanoate
Also Known As: ethyl (3R)-3-amino-3-(4-chlorophenyl)propanoate, ethyl 3-amino-3-(4-chlorophenyl)propanoate, Ethyl (R)-3-amino-3-(4-chlorophenyl)propanoate, Benzenepropanoic acid, -amino-4-chloro-, ethyl ester, (R)-, Benzenepropanoic acid, beta-amino-4-chloro-, ethyl ester, (betaR)-
Technical Specifications
| Molecular Formula | C11H14ClNO2 |
| Molecular Weight | 227.0713 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.0713 Da |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
| SMILES | CCOC(=O)C[C@H](C1=CC=C(C=C1)Cl)N |
| InChIKey | SAXNGCIJNXBVHG-SNVBAGLBSA-N |
Chemical Property Profile of ethyl (3R)-3-amino-3-(4-chlorophenyl)propanoate
Property Insights of ethyl (3R)-3-amino-3-(4-chlorophenyl)propanoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (3R)-3-amino-3-(4-chlorophenyl)propanoate. With a topological polar surface area (TPSA) of 52.3 Ų, ethyl (3R)-3-amino-3-(4-chlorophenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (3R)-3-amino-3-(4-chlorophenyl)propanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl (3R)-3-amino-3-(4-chlorophenyl)propanoate?
The CAS number of ethyl (3R)-3-amino-3-(4-chlorophenyl)propanoate is 1217530-42-1.
What is the molecular formula of ethyl (3R)-3-amino-3-(4-chlorophenyl)propanoate?
The molecular formula of ethyl (3R)-3-amino-3-(4-chlorophenyl)propanoate is C11H14ClNO2.
What is the molecular weight of ethyl (3R)-3-amino-3-(4-chlorophenyl)propanoate?
The molecular weight of ethyl (3R)-3-amino-3-(4-chlorophenyl)propanoate is 227.0713 g/mol.
Where can I buy ethyl (3R)-3-amino-3-(4-chlorophenyl)propanoate?
You can request a quote for ethyl (3R)-3-amino-3-(4-chlorophenyl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl (3R)-3-amino-3-(4-chlorophenyl)propanoate?
Yes, CoreyChem provides custom synthesis services for ethyl (3R)-3-amino-3-(4-chlorophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.