Methyl tetrahydro-5-methyl-4-oxo-3-furoate
TL;DR: Methyl tetrahydro-5-methyl-4-oxo-3-furoate (CAS 3210-57-9) 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 5-methyl-4-oxooxolane-3-carboxylate
Also Known As: Methyl tetrahydro-5-methyl-4-oxo-3-furoate, methyl 5-methyl-4-oxooxolane-3-carboxylate, 2-methyl-4-carbomethoxytetrahydrofuran-3-one, 1,4-Anhydro-2,5-dideoxy-2-(methoxycarbonyl)pent-3-ulose, Tetrahydro-5-methyl-4-oxo-3-furancarboxylic acid methyl ester
| Molecular Formula | C7H10O4 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 0.2 |
| 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 | 3210-57-9 |
|---|---|
| SMILES | CC1C(=O)C(CO1)C(=O)OC |
| InChIKey | WUAVQXXNANXZAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl tetrahydro-5-methyl-4-oxo-3-furoate (CAS 3210-57-9), with molecular formula C7H10O4 and molecular weight 158.06 g/mol. IUPAC: methyl 5-methyl-4-oxooxolane-3-carboxylate.
Chemical Property Profile of Methyl tetrahydro-5-methyl-4-oxo-3-furoate
Property Insights of Methyl tetrahydro-5-methyl-4-oxo-3-furoate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl tetrahydro-5-methyl-4-oxo-3-furoate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl tetrahydro-5-methyl-4-oxo-3-furoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl tetrahydro-5-methyl-4-oxo-3-furoate 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 Methyl tetrahydro-5-methyl-4-oxo-3-furoate?
The CAS number of Methyl tetrahydro-5-methyl-4-oxo-3-furoate is 3210-57-9.
What is the molecular formula of Methyl tetrahydro-5-methyl-4-oxo-3-furoate?
The molecular formula of Methyl tetrahydro-5-methyl-4-oxo-3-furoate is C7H10O4.
What is the molecular weight of Methyl tetrahydro-5-methyl-4-oxo-3-furoate?
The molecular weight of Methyl tetrahydro-5-methyl-4-oxo-3-furoate is 158.06 g/mol.
Where can I buy Methyl tetrahydro-5-methyl-4-oxo-3-furoate?
You can request a quote for Methyl tetrahydro-5-methyl-4-oxo-3-furoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl tetrahydro-5-methyl-4-oxo-3-furoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl tetrahydro-5-methyl-4-oxo-3-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.