Aponucinecarboxylic acid
TL;DR: Aponucinecarboxylic acid (CAS 6879-60-3) is a chemical compound with molecular formula C16H20N2O4 and molecular weight 304.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-8-oxa-4,13-diazapentacyclo[9.7.0.02,7.03,16.013,17]octadec-10-ene-16-carboxylic acid
Also Known As: Aponucinecarboxylic acid, Hanssen's C16 acid, oxo[?]carboxylic acid, Aponucine carboxylic acid, NCI60_000698
| Molecular Formula | C16H20N2O4 |
|---|---|
| Molecular Weight | 304.14 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 304.1423 |
| Heavy Atoms | 22 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 6879-60-3 |
|---|---|
| SMILES | C1CN2CC3=CCOC4CC(=O)NC5C4C3CC2C51C(=O)O |
| InChIKey | VDTLYVMJJHDZCX-UHFFFAOYSA-N |
Product Overview
Aponucinecarboxylic acid (CAS 6879-60-3), with molecular formula C16H20N2O4 and molecular weight 304.14 g/mol. IUPAC: 5-oxo-8-oxa-4,13-diazapentacyclo[9.7.0.02,7.03,16.013,17]octadec-10-ene-16-carboxylic acid.
Chemical Property Profile of Aponucinecarboxylic acid
Property Insights of Aponucinecarboxylic acid
The XLogP value of -3.5 indicates that Aponucinecarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Aponucinecarboxylic acid. Following Lipinski's Rule of Five, Aponucinecarboxylic acid has 2 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 Aponucinecarboxylic acid?
The CAS number of Aponucinecarboxylic acid is 6879-60-3.
What is the molecular formula of Aponucinecarboxylic acid?
The molecular formula of Aponucinecarboxylic acid is C16H20N2O4.
What is the molecular weight of Aponucinecarboxylic acid?
The molecular weight of Aponucinecarboxylic acid is 304.14 g/mol.
Where can I buy Aponucinecarboxylic acid?
You can request a quote for Aponucinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aponucinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Aponucinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.