Ethyl 3-(4-aminobutylamino)propanoate
TL;DR: Ethyl 3-(4-aminobutylamino)propanoate (CAS 16545-40-7) is a chemical compound with molecular formula C9H20N2O2 and molecular weight 188.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-aminobutylamino)propanoate
Also Known As: ethyl 3-(4-aminobutylamino)propanoate, N-(4-Aminobutyl)-betaAla-OEt, Ethyl 3-[(4-aminobutyl)amino]propanoate, N-(4-Aminobutyl)-beta-alanine ethyl ester, ethyl 3-((4-aminobutyl)amino)propanoate
| Molecular Formula | C9H20N2O2 |
|---|---|
| Molecular Weight | 188.15 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 188.15248 |
| Heavy Atoms | 13 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 16545-40-7 |
|---|---|
| SMILES | CCOC(=O)CCNCCCCN |
| InChIKey | SNCCVKSVZSNIEV-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(4-aminobutylamino)propanoate (CAS 16545-40-7), with molecular formula C9H20N2O2 and molecular weight 188.15 g/mol. IUPAC: ethyl 3-(4-aminobutylamino)propanoate.
Chemical Property Profile of Ethyl 3-(4-aminobutylamino)propanoate
Property Insights of Ethyl 3-(4-aminobutylamino)propanoate
The XLogP value of -0.2 indicates that Ethyl 3-(4-aminobutylamino)propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(4-aminobutylamino)propanoate. Following Lipinski's Rule of Five, Ethyl 3-(4-aminobutylamino)propanoate has 2 hydrogen bond donor(s) and 4 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-aminobutylamino)propanoate?
The CAS number of Ethyl 3-(4-aminobutylamino)propanoate is 16545-40-7.
What is the molecular formula of Ethyl 3-(4-aminobutylamino)propanoate?
The molecular formula of Ethyl 3-(4-aminobutylamino)propanoate is C9H20N2O2.
What is the molecular weight of Ethyl 3-(4-aminobutylamino)propanoate?
The molecular weight of Ethyl 3-(4-aminobutylamino)propanoate is 188.15 g/mol.
Where can I buy Ethyl 3-(4-aminobutylamino)propanoate?
You can request a quote for Ethyl 3-(4-aminobutylamino)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-aminobutylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-aminobutylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.