2,5-Dimethyl-3-furoic acid
TL;DR: 2,5-Dimethyl-3-furoic acid (CAS 636-44-2) is a chemical compound with molecular formula C7H8O3 and molecular weight 140.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethylfuran-3-carboxylic acid
Also Known As: 2,5-Dimethyl-3-furoic acid, 2,5-dimethylfuran-3-carboxylic acid, Pyrotritaric acid, Uvic acid, UVINIC ACID
| Molecular Formula | C7H8O3 |
|---|---|
| Molecular Weight | 140.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.04735 |
| Heavy Atoms | 10 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 636-44-2 |
|---|---|
| SMILES | CC1=CC(=C(O1)C)C(=O)O |
| InChIKey | CNTHHNPBADVTRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dimethyl-3-furoic acid (CAS 636-44-2), with molecular formula C7H8O3 and molecular weight 140.05 g/mol. IUPAC: 2,5-dimethylfuran-3-carboxylic acid.
Chemical Property Profile of 2,5-Dimethyl-3-furoic acid
Property Insights of 2,5-Dimethyl-3-furoic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dimethyl-3-furoic acid. With a topological polar surface area (TPSA) of 50.4 Ų, 2,5-Dimethyl-3-furoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyl-3-furoic acid has 1 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 2,5-Dimethyl-3-furoic acid?
The CAS number of 2,5-Dimethyl-3-furoic acid is 636-44-2.
What is the molecular formula of 2,5-Dimethyl-3-furoic acid?
The molecular formula of 2,5-Dimethyl-3-furoic acid is C7H8O3.
What is the molecular weight of 2,5-Dimethyl-3-furoic acid?
The molecular weight of 2,5-Dimethyl-3-furoic acid is 140.05 g/mol.
Where can I buy 2,5-Dimethyl-3-furoic acid?
You can request a quote for 2,5-Dimethyl-3-furoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethyl-3-furoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-3-furoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.