5,5-Dimethyl-2-oxotetrahydrofuran-3-carboxylic acid
TL;DR: 5,5-Dimethyl-2-oxotetrahydrofuran-3-carboxylic acid (CAS 50978-80-8) is a chemical compound with molecular formula C7H10O4 and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-2-oxooxolane-3-carboxylic acid
Also Known As: 5,5-dimethyl-2-oxotetrahydrofuran-3-carboxylic acid, 5,5-dimethyl-2-oxooxolane-3-carboxylic acid, 5,5-Dimethyl-2-oxo-tetrahydro-furan-3-carbonsaeure, 5,5-dimethyl-2-oxotetrahydro-3-furancarboxylic acid
| Molecular Formula | C7H10O4 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.0579 |
| Heavy Atoms | 11 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 50978-80-8 |
|---|---|
| SMILES | CC1(CC(C(=O)O1)C(=O)O)C |
| InChIKey | DWKOJUAMEBEFOX-UHFFFAOYSA-N |
Product Overview
5,5-Dimethyl-2-oxotetrahydrofuran-3-carboxylic acid (CAS 50978-80-8), with molecular formula C7H10O4 and molecular weight 158.06 g/mol. IUPAC: 5,5-dimethyl-2-oxooxolane-3-carboxylic acid.
Chemical Property Profile of 5,5-Dimethyl-2-oxotetrahydrofuran-3-carboxylic acid
Property Insights of 5,5-Dimethyl-2-oxotetrahydrofuran-3-carboxylic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-2-oxotetrahydrofuran-3-carboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-Dimethyl-2-oxotetrahydrofuran-3-carboxylic acid. Following Lipinski's Rule of Five, 5,5-Dimethyl-2-oxotetrahydrofuran-3-carboxylic acid has 1 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 5,5-Dimethyl-2-oxotetrahydrofuran-3-carboxylic acid?
The CAS number of 5,5-Dimethyl-2-oxotetrahydrofuran-3-carboxylic acid is 50978-80-8.
What is the molecular formula of 5,5-Dimethyl-2-oxotetrahydrofuran-3-carboxylic acid?
The molecular formula of 5,5-Dimethyl-2-oxotetrahydrofuran-3-carboxylic acid is C7H10O4.
What is the molecular weight of 5,5-Dimethyl-2-oxotetrahydrofuran-3-carboxylic acid?
The molecular weight of 5,5-Dimethyl-2-oxotetrahydrofuran-3-carboxylic acid is 158.06 g/mol.
Where can I buy 5,5-Dimethyl-2-oxotetrahydrofuran-3-carboxylic acid?
You can request a quote for 5,5-Dimethyl-2-oxotetrahydrofuran-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-2-oxotetrahydrofuran-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-2-oxotetrahydrofuran-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.