Phenacylamine-N,N-diacetic acid
TL;DR: Phenacylamine-N,N-diacetic acid (CAS 2847-18-9) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[carboxymethyl(phenacyl)amino]acetic acid
Also Known As: (Phenacylimino)diacetic acid, Phenacylamine-N,N-diacetic acid, (Phenacylimino)bisacetic acid, 3-Azapentanedioic acid, 3-benzoylmethyl-, 2-[carboxymethyl(phenacyl)amino]acetic acid
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 2847-18-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CN(CC(=O)O)CC(=O)O |
| InChIKey | ALHOBCVMWGKLNK-UHFFFAOYSA-N |
Product Overview
Phenacylamine-N,N-diacetic acid (CAS 2847-18-9), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: 2-[carboxymethyl(phenacyl)amino]acetic acid.
Chemical Property Profile of Phenacylamine-N,N-diacetic acid
Property Insights of Phenacylamine-N,N-diacetic acid
The XLogP value of -1.4 indicates that Phenacylamine-N,N-diacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenacylamine-N,N-diacetic acid. Following Lipinski's Rule of Five, Phenacylamine-N,N-diacetic acid has 2 hydrogen bond donor(s) and 6 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 Phenacylamine-N,N-diacetic acid?
The CAS number of Phenacylamine-N,N-diacetic acid is 2847-18-9.
What is the molecular formula of Phenacylamine-N,N-diacetic acid?
The molecular formula of Phenacylamine-N,N-diacetic acid is C12H13NO5.
What is the molecular weight of Phenacylamine-N,N-diacetic acid?
The molecular weight of Phenacylamine-N,N-diacetic acid is 251.08 g/mol.
Where can I buy Phenacylamine-N,N-diacetic acid?
You can request a quote for Phenacylamine-N,N-diacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenacylamine-N,N-diacetic acid?
Yes, KEHONG BIO provides custom synthesis services for Phenacylamine-N,N-diacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.