beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, ethyl ester
TL;DR: beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, ethyl ester (CAS 53935-66-3) is a chemical compound with molecular formula C13H25NO5 and molecular weight 275.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-hydroxypropyl)amino]propanoate
Also Known As: BOC-L-TYROSOL, Diethyl N-(3-hydroxypropyl)imino-3,3'-dipropionate, beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, ethyl ester, .beta.-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, ethyl ester, Diethyl 3,3'-[(3-hydroxypropyl)azanediyl]dipropanoate
| Molecular Formula | C13H25NO5 |
|---|---|
| Molecular Weight | 275.17 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 13 |
| Exact Mass | 275.17328 |
| Heavy Atoms | 19 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 53935-66-3 |
|---|---|
| SMILES | CCOC(=O)CCN(CCCO)CCC(=O)OCC |
| InChIKey | BHZAMQABWGMKDQ-UHFFFAOYSA-N |
Product Overview
beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, ethyl ester (CAS 53935-66-3), with molecular formula C13H25NO5 and molecular weight 275.17 g/mol. IUPAC: ethyl 3-[(3-ethoxy-3-oxopropyl)-(3-hydroxypropyl)amino]propanoate.
Chemical Property Profile of beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, ethyl ester
Property Insights of beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, ethyl ester
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, ethyl ester. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, ethyl ester. Following Lipinski's Rule of Five, beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, ethyl ester has 1 hydrogen bond donor(s) and 6 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 beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, ethyl ester?
The CAS number of beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, ethyl ester is 53935-66-3.
What is the molecular formula of beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, ethyl ester?
The molecular formula of beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, ethyl ester is C13H25NO5.
What is the molecular weight of beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, ethyl ester?
The molecular weight of beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, ethyl ester is 275.17 g/mol.
Where can I buy beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, ethyl ester?
You can request a quote for beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(3-ethoxy-3-oxopropyl)-N-(3-hydroxypropyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.