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Ethyl 3-{[(4-chlorophenyl)methyl]amino}propanoate
TL;DR: Ethyl 3-{[(4-chlorophenyl)methyl]amino}propanoate (CAS 67044-03-5) is a chemical compound with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(4-chlorophenyl)methylamino]propanoate
Also Known As: Ethyl 3-{[(4-chlorophenyl)methyl]amino}propanoate, Ethyl 3-((4-chlorobenzyl)amino)propanoate, Ethyl 3-[(4-chlorophenyl)methylamino]propanoate, ethyl 3-{(4-chlorophenyl)methylamino}propanoate
| Molecular Formula | C12H16ClNO2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 2.3828 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 241.08696 |
| Heavy Atoms | 16 |
| Complexity | 324.29556 |
Chemical Identifiers
| CAS Number | 67044-03-5 |
|---|---|
| SMILES | CCOC(=O)CCNCC1=CC=C(C=C1)Cl |
Product Overview
Ethyl 3-{[(4-chlorophenyl)methyl]amino}propanoate (CAS 67044-03-5), with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol. IUPAC: ethyl 3-[(4-chlorophenyl)methylamino]propanoate.
Chemical Property Profile of Ethyl 3-{[(4-chlorophenyl)methyl]amino}propanoate
Property Insights of Ethyl 3-{[(4-chlorophenyl)methyl]amino}propanoate
The XLogP value of 2.3828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-{[(4-chlorophenyl)methyl]amino}propanoate. With a topological polar surface area (TPSA) of 38.33 Ų, Ethyl 3-{[(4-chlorophenyl)methyl]amino}propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-{[(4-chlorophenyl)methyl]amino}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
Frequently Asked Questions
What is the CAS number of Ethyl 3-{[(4-chlorophenyl)methyl]amino}propanoate?
The CAS number of Ethyl 3-{[(4-chlorophenyl)methyl]amino}propanoate is 67044-03-5.
What is the molecular formula of Ethyl 3-{[(4-chlorophenyl)methyl]amino}propanoate?
The molecular formula of Ethyl 3-{[(4-chlorophenyl)methyl]amino}propanoate is C12H16ClNO2.
What is the molecular weight of Ethyl 3-{[(4-chlorophenyl)methyl]amino}propanoate?
The molecular weight of Ethyl 3-{[(4-chlorophenyl)methyl]amino}propanoate is 241.09 g/mol.
Where can I buy Ethyl 3-{[(4-chlorophenyl)methyl]amino}propanoate?
You can request a quote for Ethyl 3-{[(4-chlorophenyl)methyl]amino}propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-{[(4-chlorophenyl)methyl]amino}propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-{[(4-chlorophenyl)methyl]amino}propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.