![ethyl 4-[(N-{[4-(3-methylbutoxy)phenyl]carbonyl}-beta-alanyl)amino]butanoate structure](/static/products/300/300591-53-1.png)
ethyl 4-[(N-{[4-(3-methylbutoxy)phenyl]carbonyl}-beta-alanyl)amino]butanoate
TL;DR: ethyl 4-[(N-{[4-(3-methylbutoxy)phenyl]carbonyl}-beta-alanyl)amino]butanoate (CAS 300591-53-1) is a chemical compound with molecular formula C21H32N2O5 and molecular weight 392.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[[4-(3-methylbutoxy)benzoyl]amino]propanoylamino]butanoate
Also Known As: ethyl 4-(3-(4-(isopentyloxy)benzamido)propanamido)butanoate, ethyl 4-[3-[[4-(3-methylbutoxy)benzoyl]amino]propanoylamino]butanoate, 4-{3-[4-(3-Methyl-butoxy)-benzoylamino]-propionylamino}-butyric acid ethyl ester, ethyl 4-[(N-{[4-(3-methylbutoxy)phenyl]carbonyl}-beta-alanyl)amino]butanoate
| Molecular Formula | C21H32N2O5 |
|---|---|
| Molecular Weight | 392.23 g/mol |
| LogP | 2.6909 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 392.2311 |
| Heavy Atoms | 28 |
| Complexity | 613.72687 |
Chemical Identifiers
| CAS Number | 300591-53-1 |
|---|---|
| SMILES | CCOC(=O)CCCNC(=O)CCNC(=O)C1=CC=C(C=C1)OCCC(C)C |
Product Overview
ethyl 4-[(N-{[4-(3-methylbutoxy)phenyl]carbonyl}-beta-alanyl)amino]butanoate (CAS 300591-53-1), with molecular formula C21H32N2O5 and molecular weight 392.23 g/mol. IUPAC: ethyl 4-[3-[[4-(3-methylbutoxy)benzoyl]amino]propanoylamino]butanoate.
Chemical Property Profile of ethyl 4-[(N-{[4-(3-methylbutoxy)phenyl]carbonyl}-beta-alanyl)amino]butanoate
Property Insights of ethyl 4-[(N-{[4-(3-methylbutoxy)phenyl]carbonyl}-beta-alanyl)amino]butanoate
The XLogP value of 2.6909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[(N-{[4-(3-methylbutoxy)phenyl]carbonyl}-beta-alanyl)amino]butanoate. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[(N-{[4-(3-methylbutoxy)phenyl]carbonyl}-beta-alanyl)amino]butanoate. Following Lipinski's Rule of Five, ethyl 4-[(N-{[4-(3-methylbutoxy)phenyl]carbonyl}-beta-alanyl)amino]butanoate has 2 hydrogen bond donor(s) and 5 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-[(N-{[4-(3-methylbutoxy)phenyl]carbonyl}-beta-alanyl)amino]butanoate?
The CAS number of ethyl 4-[(N-{[4-(3-methylbutoxy)phenyl]carbonyl}-beta-alanyl)amino]butanoate is 300591-53-1.
What is the molecular formula of ethyl 4-[(N-{[4-(3-methylbutoxy)phenyl]carbonyl}-beta-alanyl)amino]butanoate?
The molecular formula of ethyl 4-[(N-{[4-(3-methylbutoxy)phenyl]carbonyl}-beta-alanyl)amino]butanoate is C21H32N2O5.
What is the molecular weight of ethyl 4-[(N-{[4-(3-methylbutoxy)phenyl]carbonyl}-beta-alanyl)amino]butanoate?
The molecular weight of ethyl 4-[(N-{[4-(3-methylbutoxy)phenyl]carbonyl}-beta-alanyl)amino]butanoate is 392.23 g/mol.
Where can I buy ethyl 4-[(N-{[4-(3-methylbutoxy)phenyl]carbonyl}-beta-alanyl)amino]butanoate?
You can request a quote for ethyl 4-[(N-{[4-(3-methylbutoxy)phenyl]carbonyl}-beta-alanyl)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-[(N-{[4-(3-methylbutoxy)phenyl]carbonyl}-beta-alanyl)amino]butanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[(N-{[4-(3-methylbutoxy)phenyl]carbonyl}-beta-alanyl)amino]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.