N-(Carboxymethyl)-N-(phosphonomethyl)-beta-alanine
TL;DR: N-(Carboxymethyl)-N-(phosphonomethyl)-beta-alanine (CAS 2440-00-8) is a chemical compound with molecular formula C6H12NO7P and molecular weight 241.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[carboxymethyl(phosphonomethyl)amino]propanoic acid
Also Known As: N-(2-carboxyethyl)-N-phosphonomethylglycine, 3-Azahexanedioic acid, 3-phosphonomethyl-, N-(carboxymethyl)-N-(phosphonomethyl)-beta-alanine, N-(Carboxymethyl)-N-(phosphonomethyl)-I(2)-alanine, 3-(carboxymethyl-(phosphonomethyl)amino)propanoic Acid
| Molecular Formula | C6H12NO7P |
|---|---|
| Molecular Weight | 241.04 g/mol |
| LogP | -1.0171 |
| Topological Polar Surface Area | 135.37 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 241.03514 |
| Heavy Atoms | 15 |
| Complexity | 285.205 |
Chemical Identifiers
| CAS Number | 2440-00-8 |
|---|---|
| SMILES | C(CN(CC(=O)O)CP(=O)(O)O)C(=O)O |
Product Overview
N-(Carboxymethyl)-N-(phosphonomethyl)-beta-alanine (CAS 2440-00-8), with molecular formula C6H12NO7P and molecular weight 241.04 g/mol. IUPAC: 3-[carboxymethyl(phosphonomethyl)amino]propanoic acid.
Chemical Property Profile of N-(Carboxymethyl)-N-(phosphonomethyl)-beta-alanine
Property Insights of N-(Carboxymethyl)-N-(phosphonomethyl)-beta-alanine
The XLogP value of -1.0171 indicates that N-(Carboxymethyl)-N-(phosphonomethyl)-beta-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 135.37 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(Carboxymethyl)-N-(phosphonomethyl)-beta-alanine. Following Lipinski's Rule of Five, N-(Carboxymethyl)-N-(phosphonomethyl)-beta-alanine has 4 hydrogen bond donor(s) and 4 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-(Carboxymethyl)-N-(phosphonomethyl)-beta-alanine?
The CAS number of N-(Carboxymethyl)-N-(phosphonomethyl)-beta-alanine is 2440-00-8.
What is the molecular formula of N-(Carboxymethyl)-N-(phosphonomethyl)-beta-alanine?
The molecular formula of N-(Carboxymethyl)-N-(phosphonomethyl)-beta-alanine is C6H12NO7P.
What is the molecular weight of N-(Carboxymethyl)-N-(phosphonomethyl)-beta-alanine?
The molecular weight of N-(Carboxymethyl)-N-(phosphonomethyl)-beta-alanine is 241.04 g/mol.
Where can I buy N-(Carboxymethyl)-N-(phosphonomethyl)-beta-alanine?
You can request a quote for N-(Carboxymethyl)-N-(phosphonomethyl)-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-(Carboxymethyl)-N-(phosphonomethyl)-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(Carboxymethyl)-N-(phosphonomethyl)-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.