2-Furancarboxylic acid, tetrahydro-3-methyl-5-oxo-, methyl ester
TL;DR: 2-Furancarboxylic acid, tetrahydro-3-methyl-5-oxo-, methyl ester (CAS 85547-53-1) 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.
methyl 3-methyl-5-oxooxolane-2-carboxylate
Also Known As: methyl 3-methyl-5-oxooxolane-2-carboxylate, 2-Furancarboxylic acid, tetrahydro-3-methyl-5-oxo-, methyl ester, 2-aFurancarboxylic acid, tetrahydro-a3-amethyl-a5-aoxo-a, methyl ester
| Molecular Formula | C7H10O4 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 158.0579 |
| Heavy Atoms | 11 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 85547-53-1 |
|---|---|
| SMILES | CC1CC(=O)OC1C(=O)OC |
| InChIKey | SFWBVYXMJDERKM-UHFFFAOYSA-N |
Product Overview
2-Furancarboxylic acid, tetrahydro-3-methyl-5-oxo-, methyl ester (CAS 85547-53-1), with molecular formula C7H10O4 and molecular weight 158.06 g/mol. IUPAC: methyl 3-methyl-5-oxooxolane-2-carboxylate.
Chemical Property Profile of 2-Furancarboxylic acid, tetrahydro-3-methyl-5-oxo-, methyl ester
Property Insights of 2-Furancarboxylic acid, tetrahydro-3-methyl-5-oxo-, methyl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Furancarboxylic acid, tetrahydro-3-methyl-5-oxo-, methyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Furancarboxylic acid, tetrahydro-3-methyl-5-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Furancarboxylic acid, tetrahydro-3-methyl-5-oxo-, methyl ester has 0 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 2-Furancarboxylic acid, tetrahydro-3-methyl-5-oxo-, methyl ester?
The CAS number of 2-Furancarboxylic acid, tetrahydro-3-methyl-5-oxo-, methyl ester is 85547-53-1.
What is the molecular formula of 2-Furancarboxylic acid, tetrahydro-3-methyl-5-oxo-, methyl ester?
The molecular formula of 2-Furancarboxylic acid, tetrahydro-3-methyl-5-oxo-, methyl ester is C7H10O4.
What is the molecular weight of 2-Furancarboxylic acid, tetrahydro-3-methyl-5-oxo-, methyl ester?
The molecular weight of 2-Furancarboxylic acid, tetrahydro-3-methyl-5-oxo-, methyl ester is 158.06 g/mol.
Where can I buy 2-Furancarboxylic acid, tetrahydro-3-methyl-5-oxo-, methyl ester?
You can request a quote for 2-Furancarboxylic acid, tetrahydro-3-methyl-5-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Furancarboxylic acid, tetrahydro-3-methyl-5-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Furancarboxylic acid, tetrahydro-3-methyl-5-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.