3-(2-Cyano-5-oxotetrahydrofuran-2-yl)propanoic acid
TL;DR: 3-(2-Cyano-5-oxotetrahydrofuran-2-yl)propanoic acid (CAS 6969-37-5) is a chemical compound with molecular formula C8H9NO4 and molecular weight 183.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-cyano-5-oxooxolan-2-yl)propanoic acid
Also Known As: 3-(2-cyano-5-oxotetrahydrofuran-2-yl)propanoic acid, 3-(2-cyano-5-oxooxolan-2-yl)propanoic acid
| Molecular Formula | C8H9NO4 |
|---|---|
| Molecular Weight | 183.05 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.05316 |
| Heavy Atoms | 13 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 6969-37-5 |
|---|---|
| SMILES | C1CC(OC1=O)(CCC(=O)O)C#N |
| InChIKey | JNBDCWUUYHASGX-UHFFFAOYSA-N |
Product Overview
3-(2-Cyano-5-oxotetrahydrofuran-2-yl)propanoic acid (CAS 6969-37-5), with molecular formula C8H9NO4 and molecular weight 183.05 g/mol. IUPAC: 3-(2-cyano-5-oxooxolan-2-yl)propanoic acid.
Chemical Property Profile of 3-(2-Cyano-5-oxotetrahydrofuran-2-yl)propanoic acid
Property Insights of 3-(2-Cyano-5-oxotetrahydrofuran-2-yl)propanoic acid
The XLogP value of -0.3 indicates that 3-(2-Cyano-5-oxotetrahydrofuran-2-yl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Cyano-5-oxotetrahydrofuran-2-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(2-Cyano-5-oxotetrahydrofuran-2-yl)propanoic acid has 1 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 3-(2-Cyano-5-oxotetrahydrofuran-2-yl)propanoic acid?
The CAS number of 3-(2-Cyano-5-oxotetrahydrofuran-2-yl)propanoic acid is 6969-37-5.
What is the molecular formula of 3-(2-Cyano-5-oxotetrahydrofuran-2-yl)propanoic acid?
The molecular formula of 3-(2-Cyano-5-oxotetrahydrofuran-2-yl)propanoic acid is C8H9NO4.
What is the molecular weight of 3-(2-Cyano-5-oxotetrahydrofuran-2-yl)propanoic acid?
The molecular weight of 3-(2-Cyano-5-oxotetrahydrofuran-2-yl)propanoic acid is 183.05 g/mol.
Where can I buy 3-(2-Cyano-5-oxotetrahydrofuran-2-yl)propanoic acid?
You can request a quote for 3-(2-Cyano-5-oxotetrahydrofuran-2-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Cyano-5-oxotetrahydrofuran-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Cyano-5-oxotetrahydrofuran-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.