2-Acetamido-2-allylmalonic acid
TL;DR: 2-Acetamido-2-allylmalonic acid (CAS 98593-96-5) is a chemical compound with molecular formula C8H11NO5 and molecular weight 201.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetamido-2-prop-2-enylpropanedioic acid
Also Known As: 2-acetamido-2-allylmalonic acid, 2-(acetylamino)-2-allylmalonic acid, 2-acetamido-2-prop-2-enylpropanedioic acid, 2-acetamido-2-prop-2-enyl-propanedioic Acid, 635-535-4
| Molecular Formula | C8H11NO5 |
|---|---|
| Molecular Weight | 201.06 g/mol |
| LogP | -0.3934 |
| Topological Polar Surface Area | 103.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 201.06372 |
| Heavy Atoms | 14 |
| Complexity | 269.45624 |
Chemical Identifiers
| CAS Number | 98593-96-5 |
|---|---|
| SMILES | CC(=O)NC(CC=C)(C(=O)O)C(=O)O |
Product Overview
2-Acetamido-2-allylmalonic acid (CAS 98593-96-5), with molecular formula C8H11NO5 and molecular weight 201.06 g/mol. IUPAC: 2-acetamido-2-prop-2-enylpropanedioic acid.
Chemical Property Profile of 2-Acetamido-2-allylmalonic acid
Property Insights of 2-Acetamido-2-allylmalonic acid
The XLogP value of -0.3934 indicates that 2-Acetamido-2-allylmalonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetamido-2-allylmalonic acid. Following Lipinski's Rule of Five, 2-Acetamido-2-allylmalonic acid has 3 hydrogen bond donor(s) and 3 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 2-Acetamido-2-allylmalonic acid?
The CAS number of 2-Acetamido-2-allylmalonic acid is 98593-96-5.
What is the molecular formula of 2-Acetamido-2-allylmalonic acid?
The molecular formula of 2-Acetamido-2-allylmalonic acid is C8H11NO5.
What is the molecular weight of 2-Acetamido-2-allylmalonic acid?
The molecular weight of 2-Acetamido-2-allylmalonic acid is 201.06 g/mol.
Where can I buy 2-Acetamido-2-allylmalonic acid?
You can request a quote for 2-Acetamido-2-allylmalonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetamido-2-allylmalonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetamido-2-allylmalonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.