![beta-Alanine, N-[3-[[3-(tridecyloxy)propyl]amino]propyl]-, 2-ethylhexyl ester structure](/static/products/7077/70776-25-9.webp)
beta-Alanine, N-[3-[[3-(tridecyloxy)propyl]amino]propyl]-, 2-ethylhexyl ester
TL;DR: beta-Alanine, N-[3-[[3-(tridecyloxy)propyl]amino]propyl]-, 2-ethylhexyl ester (CAS 70776-25-9) is a chemical compound with molecular formula C30H62N2O3 and molecular weight 498.48 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl 3-[3-(3-tridecoxypropylamino)propylamino]propanoate
Also Known As: beta-Alanine, N-(3-((3-(tridecyloxy)propyl)amino)propyl)-, 2-ethylhexyl ester, .beta.-Alanine, N-[3-[[3-(tridecyloxy)propyl]amino]propyl]-, 2-ethylhexyl ester, 3-((3-(3-Tridecyloxypropyl)amino)propylamino)propionic acid, 2-ethylhexyl ester, 2-ethylhexyl 3-[3-(3-tridecoxypropylamino)propylamino]propanoate, 2-Ethylhexyl N-(3-{[3-(tridecyloxy)propyl]amino}propyl)-beta-alaninate
| Molecular Formula | C30H62N2O3 |
|---|---|
| Molecular Weight | 498.48 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 30 |
| Exact Mass | 498.47604 |
| Heavy Atoms | 35 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 70776-25-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCOCCCNCCCNCCC(=O)OCC(CC)CCCC |
| InChIKey | GTOJKYWGQZTNST-UHFFFAOYSA-N |
Product Overview
beta-Alanine, N-[3-[[3-(tridecyloxy)propyl]amino]propyl]-, 2-ethylhexyl ester (CAS 70776-25-9), with molecular formula C30H62N2O3 and molecular weight 498.48 g/mol. IUPAC: 2-ethylhexyl 3-[3-(3-tridecoxypropylamino)propylamino]propanoate.
Chemical Property Profile of beta-Alanine, N-[3-[[3-(tridecyloxy)propyl]amino]propyl]-, 2-ethylhexyl ester
Property Insights of beta-Alanine, N-[3-[[3-(tridecyloxy)propyl]amino]propyl]-, 2-ethylhexyl ester
The XLogP value of 9.0 indicates that beta-Alanine, N-[3-[[3-(tridecyloxy)propyl]amino]propyl]-, 2-ethylhexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.6 Ų, beta-Alanine, N-[3-[[3-(tridecyloxy)propyl]amino]propyl]-, 2-ethylhexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Alanine, N-[3-[[3-(tridecyloxy)propyl]amino]propyl]-, 2-ethylhexyl ester has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-Alanine, N-[3-[[3-(tridecyloxy)propyl]amino]propyl]-, 2-ethylhexyl ester?
The CAS number of beta-Alanine, N-[3-[[3-(tridecyloxy)propyl]amino]propyl]-, 2-ethylhexyl ester is 70776-25-9.
What is the molecular formula of beta-Alanine, N-[3-[[3-(tridecyloxy)propyl]amino]propyl]-, 2-ethylhexyl ester?
The molecular formula of beta-Alanine, N-[3-[[3-(tridecyloxy)propyl]amino]propyl]-, 2-ethylhexyl ester is C30H62N2O3.
What is the molecular weight of beta-Alanine, N-[3-[[3-(tridecyloxy)propyl]amino]propyl]-, 2-ethylhexyl ester?
The molecular weight of beta-Alanine, N-[3-[[3-(tridecyloxy)propyl]amino]propyl]-, 2-ethylhexyl ester is 498.48 g/mol.
Where can I buy beta-Alanine, N-[3-[[3-(tridecyloxy)propyl]amino]propyl]-, 2-ethylhexyl ester?
You can request a quote for beta-Alanine, N-[3-[[3-(tridecyloxy)propyl]amino]propyl]-, 2-ethylhexyl 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-[[3-(tridecyloxy)propyl]amino]propyl]-, 2-ethylhexyl ester?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-[3-[[3-(tridecyloxy)propyl]amino]propyl]-, 2-ethylhexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.