N-(2-carboxyethyl)-N-octyl-beta-alanine
TL;DR: N-(2-carboxyethyl)-N-octyl-beta-alanine (CAS 52663-87-3) is a chemical compound with molecular formula C14H27NO4 and molecular weight 273.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-carboxyethyl(octyl)amino]propanoic acid
Also Known As: Ampholak YJH 40, N-(2-Carboxyethyl)-N-octyl-beta-alanine, 3-[2-carboxyethyl(octyl)amino]propanoic acid, 3,3'-(octylazanediyl)dipropanoic acid, 3,3'-(Octylazanediyl)dipropionic acid
| Molecular Formula | C14H27NO4 |
|---|---|
| Molecular Weight | 273.19 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 273.194 |
| Heavy Atoms | 19 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 52663-87-3 |
|---|---|
| SMILES | CCCCCCCCN(CCC(=O)O)CCC(=O)O |
| InChIKey | YZMCEFRJPWTZMX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-carboxyethyl)-N-octyl-beta-alanine (CAS 52663-87-3), with molecular formula C14H27NO4 and molecular weight 273.19 g/mol. IUPAC: 3-[2-carboxyethyl(octyl)amino]propanoic acid.
Chemical Property Profile of N-(2-carboxyethyl)-N-octyl-beta-alanine
Property Insights of N-(2-carboxyethyl)-N-octyl-beta-alanine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-carboxyethyl)-N-octyl-beta-alanine. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-carboxyethyl)-N-octyl-beta-alanine. Following Lipinski's Rule of Five, N-(2-carboxyethyl)-N-octyl-beta-alanine 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 N-(2-carboxyethyl)-N-octyl-beta-alanine?
The CAS number of N-(2-carboxyethyl)-N-octyl-beta-alanine is 52663-87-3.
What is the molecular formula of N-(2-carboxyethyl)-N-octyl-beta-alanine?
The molecular formula of N-(2-carboxyethyl)-N-octyl-beta-alanine is C14H27NO4.
What is the molecular weight of N-(2-carboxyethyl)-N-octyl-beta-alanine?
The molecular weight of N-(2-carboxyethyl)-N-octyl-beta-alanine is 273.19 g/mol.
Where can I buy N-(2-carboxyethyl)-N-octyl-beta-alanine?
You can request a quote for N-(2-carboxyethyl)-N-octyl-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-carboxyethyl)-N-octyl-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-carboxyethyl)-N-octyl-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.