Disodium N-(2-carboxyethyl)-N-(1-oxododecyl)-beta-alaninate
TL;DR: Disodium N-(2-carboxyethyl)-N-(1-oxododecyl)-beta-alaninate (CAS 69003-47-0) is a chemical compound with molecular formula C18H31NNa2O5 and molecular weight 387.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3-[2-carboxylatoethyl(dodecanoyl)amino]propanoate
Also Known As: EINECS 258-248-2, sodiumN- -N- -beta-alaninate, disodiumN- -N- -beta-alaninate, Disodium N-(2-carboxyethyl)-N-(1-oxododecyl)-beta-alaninate, Disodium 3,3'-(dodecanoylazanediyl)dipropanoate
| Molecular Formula | C18H31NNa2O5 |
|---|---|
| Molecular Weight | 387.20 g/mol |
| LogP | -4.9761 |
| Topological Polar Surface Area | 100.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 387.19977 |
| Heavy Atoms | 26 |
| Complexity | 362.59296 |
Chemical Identifiers
| CAS Number | 69003-47-0 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)N(CCC(=O)[O-])CCC(=O)[O-].[Na+].[Na+] |
Product Overview
Disodium N-(2-carboxyethyl)-N-(1-oxododecyl)-beta-alaninate (CAS 69003-47-0), with molecular formula C18H31NNa2O5 and molecular weight 387.20 g/mol. IUPAC: disodium;3-[2-carboxylatoethyl(dodecanoyl)amino]propanoate.
Chemical Property Profile of Disodium N-(2-carboxyethyl)-N-(1-oxododecyl)-beta-alaninate
Property Insights of Disodium N-(2-carboxyethyl)-N-(1-oxododecyl)-beta-alaninate
The XLogP value of -4.9761 indicates that Disodium N-(2-carboxyethyl)-N-(1-oxododecyl)-beta-alaninate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Disodium N-(2-carboxyethyl)-N-(1-oxododecyl)-beta-alaninate. Following Lipinski's Rule of Five, Disodium N-(2-carboxyethyl)-N-(1-oxododecyl)-beta-alaninate 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 Disodium N-(2-carboxyethyl)-N-(1-oxododecyl)-beta-alaninate?
The CAS number of Disodium N-(2-carboxyethyl)-N-(1-oxododecyl)-beta-alaninate is 69003-47-0.
What is the molecular formula of Disodium N-(2-carboxyethyl)-N-(1-oxododecyl)-beta-alaninate?
The molecular formula of Disodium N-(2-carboxyethyl)-N-(1-oxododecyl)-beta-alaninate is C18H31NNa2O5.
What is the molecular weight of Disodium N-(2-carboxyethyl)-N-(1-oxododecyl)-beta-alaninate?
The molecular weight of Disodium N-(2-carboxyethyl)-N-(1-oxododecyl)-beta-alaninate is 387.20 g/mol.
Where can I buy Disodium N-(2-carboxyethyl)-N-(1-oxododecyl)-beta-alaninate?
You can request a quote for Disodium N-(2-carboxyethyl)-N-(1-oxododecyl)-beta-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disodium N-(2-carboxyethyl)-N-(1-oxododecyl)-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for Disodium N-(2-carboxyethyl)-N-(1-oxododecyl)-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.