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Ethyl 4-{[(2-chlorophenyl)methyl]amino}butanoate
TL;DR: Ethyl 4-{[(2-chlorophenyl)methyl]amino}butanoate (CAS 656814-90-3) is a chemical compound with molecular formula C13H18ClNO2 and molecular weight 255.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(2-chlorophenyl)methylamino]butanoate
Also Known As: Ethyl 4-((2-chlorobenzyl)amino)butanoate, Ethyl 4-[(2-chlorophenyl)methylamino]butanoate, ETHYL 4-{[(2-CHLOROPHENYL)METHYL]AMINO}BUTANOATE, Ethyl 4-[(2-chlorobenzyl)amino]butanoate hydrochloride, butanoic acid, 4-[[(2-chlorophenyl)methyl]amino]-, ethyl ester, hydrochloride
| Molecular Formula | C13H18ClNO2 |
|---|---|
| Molecular Weight | 255.10 g/mol |
| LogP | 2.7729 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 255.1026 |
| Heavy Atoms | 17 |
| Complexity | 355.02762 |
Chemical Identifiers
| CAS Number | 656814-90-3 |
|---|---|
| SMILES | CCOC(=O)CCCNCC1=CC=CC=C1Cl |
Product Overview
Ethyl 4-{[(2-chlorophenyl)methyl]amino}butanoate (CAS 656814-90-3), with molecular formula C13H18ClNO2 and molecular weight 255.10 g/mol. IUPAC: ethyl 4-[(2-chlorophenyl)methylamino]butanoate.
Chemical Property Profile of Ethyl 4-{[(2-chlorophenyl)methyl]amino}butanoate
Property Insights of Ethyl 4-{[(2-chlorophenyl)methyl]amino}butanoate
The XLogP value of 2.7729 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[(2-chlorophenyl)methyl]amino}butanoate. With a topological polar surface area (TPSA) of 38.33 Ų, Ethyl 4-{[(2-chlorophenyl)methyl]amino}butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-{[(2-chlorophenyl)methyl]amino}butanoate 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 4-{[(2-chlorophenyl)methyl]amino}butanoate?
The CAS number of Ethyl 4-{[(2-chlorophenyl)methyl]amino}butanoate is 656814-90-3.
What is the molecular formula of Ethyl 4-{[(2-chlorophenyl)methyl]amino}butanoate?
The molecular formula of Ethyl 4-{[(2-chlorophenyl)methyl]amino}butanoate is C13H18ClNO2.
What is the molecular weight of Ethyl 4-{[(2-chlorophenyl)methyl]amino}butanoate?
The molecular weight of Ethyl 4-{[(2-chlorophenyl)methyl]amino}butanoate is 255.10 g/mol.
Where can I buy Ethyl 4-{[(2-chlorophenyl)methyl]amino}butanoate?
You can request a quote for Ethyl 4-{[(2-chlorophenyl)methyl]amino}butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{[(2-chlorophenyl)methyl]amino}butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[(2-chlorophenyl)methyl]amino}butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.