Ethyl 2,4-dimethyl-3-furoate
TL;DR: Ethyl 2,4-dimethyl-3-furoate (CAS 6148-33-0) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dimethylfuran-3-carboxylate
Also Known As: Ethyl 2,4-dimethyl-3-furoate, ethyl 2,4-dimethylfuran-3-carboxylate, Z-Pro-Met-OH, ethyl2,4-dimethyl-3-furoate, 2,4-Dimethyl-3-carbethoxyfuran
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 6148-33-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC=C1C)C |
| InChIKey | UKPBLUSMWYHMCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2,4-dimethyl-3-furoate (CAS 6148-33-0), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: ethyl 2,4-dimethylfuran-3-carboxylate.
Chemical Property Profile of Ethyl 2,4-dimethyl-3-furoate
Property Insights of Ethyl 2,4-dimethyl-3-furoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,4-dimethyl-3-furoate. With a topological polar surface area (TPSA) of 39.4 Ų, Ethyl 2,4-dimethyl-3-furoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,4-dimethyl-3-furoate has 0 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 Ethyl 2,4-dimethyl-3-furoate?
The CAS number of Ethyl 2,4-dimethyl-3-furoate is 6148-33-0.
What is the molecular formula of Ethyl 2,4-dimethyl-3-furoate?
The molecular formula of Ethyl 2,4-dimethyl-3-furoate is C9H12O3.
What is the molecular weight of Ethyl 2,4-dimethyl-3-furoate?
The molecular weight of Ethyl 2,4-dimethyl-3-furoate is 168.08 g/mol.
Where can I buy Ethyl 2,4-dimethyl-3-furoate?
You can request a quote for Ethyl 2,4-dimethyl-3-furoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,4-dimethyl-3-furoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,4-dimethyl-3-furoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.