alpha-(Aminomethylene)glutaconic anhydride
TL;DR: alpha-(Aminomethylene)glutaconic anhydride (CAS 67598-07-6) is a chemical compound with molecular formula C6H5NO3 and molecular weight 139.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-methanimidoylpyran-2-one
Also Known As: 3-(aminomethylidene)pyran-2,6-dione, .alpha.-(Aminomethylene)glutaconic anhydride, 4-aminomethylene-pentenedioic acid anhydride, alpha-(Aminomethylene)glutaconic anhydride, (3E)-3-(aminomethylidene)pyran-2,6-dione
| Molecular Formula | C6H5NO3 |
|---|---|
| Molecular Weight | 139.03 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 70.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 139.02695 |
| Heavy Atoms | 10 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 67598-07-6 |
|---|---|
| SMILES | C1=CC(=O)OC(=C1C=N)O |
| InChIKey | HNAORHUOJQOBMV-UHFFFAOYSA-N |
Product Overview
alpha-(Aminomethylene)glutaconic anhydride (CAS 67598-07-6), with molecular formula C6H5NO3 and molecular weight 139.03 g/mol. IUPAC: 6-hydroxy-5-methanimidoylpyran-2-one.
Chemical Property Profile of alpha-(Aminomethylene)glutaconic anhydride
Property Insights of alpha-(Aminomethylene)glutaconic anhydride
The XLogP value of -0.1 indicates that alpha-(Aminomethylene)glutaconic anhydride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.4 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-(Aminomethylene)glutaconic anhydride. Following Lipinski's Rule of Five, alpha-(Aminomethylene)glutaconic anhydride has 2 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 alpha-(Aminomethylene)glutaconic anhydride?
The CAS number of alpha-(Aminomethylene)glutaconic anhydride is 67598-07-6.
What is the molecular formula of alpha-(Aminomethylene)glutaconic anhydride?
The molecular formula of alpha-(Aminomethylene)glutaconic anhydride is C6H5NO3.
What is the molecular weight of alpha-(Aminomethylene)glutaconic anhydride?
The molecular weight of alpha-(Aminomethylene)glutaconic anhydride is 139.03 g/mol.
Where can I buy alpha-(Aminomethylene)glutaconic anhydride?
You can request a quote for alpha-(Aminomethylene)glutaconic anhydride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(Aminomethylene)glutaconic anhydride?
Yes, KEHONG BIO provides custom synthesis services for alpha-(Aminomethylene)glutaconic anhydride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.