N-(2-carboxyethyl)-N-dodecyl-beta-alanine
TL;DR: N-(2-carboxyethyl)-N-dodecyl-beta-alanine (CAS 17066-08-9) is a chemical compound with molecular formula C18H35NO4 and molecular weight 329.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-carboxyethyl(dodecyl)amino]propanoic acid
Also Known As: Deriphat, N-(2-Carboxyethyl)-N-dodecyl-beta-alanine, lauriminodipropionic acid, n-lauryl iminodipropionate, dodecyldi(carboxyethyl)amine
| Molecular Formula | C18H35NO4 |
|---|---|
| Molecular Weight | 329.26 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 77.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 17 |
| Exact Mass | 329.25662 |
| Heavy Atoms | 23 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 17066-08-9 |
|---|---|
| SMILES | CCCCCCCCCCCCN(CCC(=O)O)CCC(=O)O |
| InChIKey | XYYUAOIALFMRGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(2-carboxyethyl)-N-dodecyl-beta-alanine (CAS 17066-08-9), with molecular formula C18H35NO4 and molecular weight 329.26 g/mol. IUPAC: 3-[2-carboxyethyl(dodecyl)amino]propanoic acid.
Chemical Property Profile of N-(2-carboxyethyl)-N-dodecyl-beta-alanine
Property Insights of N-(2-carboxyethyl)-N-dodecyl-beta-alanine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-carboxyethyl)-N-dodecyl-beta-alanine. The TPSA of 77.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-carboxyethyl)-N-dodecyl-beta-alanine. Following Lipinski's Rule of Five, N-(2-carboxyethyl)-N-dodecyl-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-dodecyl-beta-alanine?
The CAS number of N-(2-carboxyethyl)-N-dodecyl-beta-alanine is 17066-08-9.
What is the molecular formula of N-(2-carboxyethyl)-N-dodecyl-beta-alanine?
The molecular formula of N-(2-carboxyethyl)-N-dodecyl-beta-alanine is C18H35NO4.
What is the molecular weight of N-(2-carboxyethyl)-N-dodecyl-beta-alanine?
The molecular weight of N-(2-carboxyethyl)-N-dodecyl-beta-alanine is 329.26 g/mol.
Where can I buy N-(2-carboxyethyl)-N-dodecyl-beta-alanine?
You can request a quote for N-(2-carboxyethyl)-N-dodecyl-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-dodecyl-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(2-carboxyethyl)-N-dodecyl-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.