alpha-Phenylaminomalonate
TL;DR: alpha-Phenylaminomalonate (CAS 5461-53-0) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-2-phenylpropanedioic acid
Also Known As: alpha-Phenylaminomalonate, Propanedioic acid, aminophenyl-, 2-amino-2-phenylpropanedioic acid, amino(phenyl)propanedioic acid, 2-Amino-2-phenylmalonic acid
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 5461-53-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)O)(C(=O)O)N |
| InChIKey | WSCHSEUVLAUWSY-UHFFFAOYSA-N |
Product Overview
alpha-Phenylaminomalonate (CAS 5461-53-0), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: 2-amino-2-phenylpropanedioic acid.
Chemical Property Profile of alpha-Phenylaminomalonate
Property Insights of alpha-Phenylaminomalonate
The XLogP value of -2.1 indicates that alpha-Phenylaminomalonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Phenylaminomalonate. Following Lipinski's Rule of Five, alpha-Phenylaminomalonate has 3 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 alpha-Phenylaminomalonate?
The CAS number of alpha-Phenylaminomalonate is 5461-53-0.
What is the molecular formula of alpha-Phenylaminomalonate?
The molecular formula of alpha-Phenylaminomalonate is C9H9NO4.
What is the molecular weight of alpha-Phenylaminomalonate?
The molecular weight of alpha-Phenylaminomalonate is 195.05 g/mol.
Where can I buy alpha-Phenylaminomalonate?
You can request a quote for alpha-Phenylaminomalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Phenylaminomalonate?
Yes, KEHONG BIO provides custom synthesis services for alpha-Phenylaminomalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.