beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester
TL;DR: beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester (CAS 53935-67-4) is a chemical compound with molecular formula C13H24ClNO4 and molecular weight 293.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[3-chloropropyl-(3-ethoxy-3-oxopropyl)amino]propanoate
Also Known As: Diethyl N-(3-chloropropyl)imino-3,3'-dipropionate, beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester, Diethyl-N-<3-chlor-propyl>-3,3'-iminopropionat, diethyl 3,3'-[(3-chloropropyl)imino]dipropanoate, ethyl 3-[3-chloropropyl-(3-ethoxy-3-oxopropyl)amino]propanoate
| Molecular Formula | C13H24ClNO4 |
|---|---|
| Molecular Weight | 293.14 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 293.13937 |
| Heavy Atoms | 19 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 53935-67-4 |
|---|---|
| SMILES | CCOC(=O)CCN(CCCCl)CCC(=O)OCC |
| InChIKey | RQSSPYOYPHMNPB-UHFFFAOYSA-N |
Product Overview
beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester (CAS 53935-67-4), with molecular formula C13H24ClNO4 and molecular weight 293.14 g/mol. IUPAC: ethyl 3-[3-chloropropyl-(3-ethoxy-3-oxopropyl)amino]propanoate.
Chemical Property Profile of beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester
Property Insights of beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester. With a topological polar surface area (TPSA) of 55.8 Ų, beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester has 0 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 beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester?
The CAS number of beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester is 53935-67-4.
What is the molecular formula of beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester?
The molecular formula of beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester is C13H24ClNO4.
What is the molecular weight of beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester?
The molecular weight of beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester is 293.14 g/mol.
Where can I buy beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester?
You can request a quote for beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, 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-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for beta-Alanine, N-(3-chloropropyl)-N-(3-ethoxy-3-oxopropyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.