Ethyl 4-amino-3-phenylbutanoate hydrochloride
TL;DR: Ethyl 4-amino-3-phenylbutanoate hydrochloride (CAS 25271-47-0) is a chemical compound with molecular formula C12H18ClNO2 and molecular weight 243.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-amino-3-phenylbutanoate;hydrochloride
Also Known As: ethyl 4-amino-3-phenylbutanoate hydrochloride, Ethyl 4-amino-3-phenyl-butanoate Hydrochloride, ethyl 4-amino-3-phenyl-butanoate;hydrochloride, Beta-(aminomethyl)benzenepropanoic acid ethyl ester hydrochloride
| Molecular Formula | C12H18ClNO2 |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | 2.1039 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.1026 |
| Heavy Atoms | 16 |
| Complexity | 303.14688 |
Chemical Identifiers
| CAS Number | 25271-47-0 |
|---|---|
| SMILES | CCOC(=O)CC(CN)C1=CC=CC=C1.Cl |
Product Overview
Ethyl 4-amino-3-phenylbutanoate hydrochloride (CAS 25271-47-0), with molecular formula C12H18ClNO2 and molecular weight 243.10 g/mol. IUPAC: ethyl 4-amino-3-phenylbutanoate;hydrochloride.
Chemical Property Profile of Ethyl 4-amino-3-phenylbutanoate hydrochloride
Property Insights of Ethyl 4-amino-3-phenylbutanoate hydrochloride
The XLogP value of 2.1039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-amino-3-phenylbutanoate hydrochloride. With a topological polar surface area (TPSA) of 52.32 Ų, Ethyl 4-amino-3-phenylbutanoate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-amino-3-phenylbutanoate hydrochloride 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-amino-3-phenylbutanoate hydrochloride?
The CAS number of Ethyl 4-amino-3-phenylbutanoate hydrochloride is 25271-47-0.
What is the molecular formula of Ethyl 4-amino-3-phenylbutanoate hydrochloride?
The molecular formula of Ethyl 4-amino-3-phenylbutanoate hydrochloride is C12H18ClNO2.
What is the molecular weight of Ethyl 4-amino-3-phenylbutanoate hydrochloride?
The molecular weight of Ethyl 4-amino-3-phenylbutanoate hydrochloride is 243.10 g/mol.
Where can I buy Ethyl 4-amino-3-phenylbutanoate hydrochloride?
You can request a quote for Ethyl 4-amino-3-phenylbutanoate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-amino-3-phenylbutanoate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-amino-3-phenylbutanoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.