4-Ethyl-3-(methoxycarbonyl)-5-methyl-3,4-didehydro-gamma-butyrolactone
TL;DR: 4-Ethyl-3-(methoxycarbonyl)-5-methyl-3,4-didehydro-gamma-butyrolactone (CAS 16848-76-3) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-ethyl-2-methyl-5-oxo-2H-furan-4-carboxylate
Also Known As: 4-Ethyl-3-(methoxycarbonyl)-5-methyl-3,4-didehydro-gamma-butyrolactone, methyl 3-ethyl-2-methyl-5-oxo-2H-furan-4-carboxylate, methyl 4-ethyl-5-methyl-2-oxo-2,5-dihydrofuran-3-carboxylate, Methyl 2,5-dihydro-4-ethyl-5-methyl-2-oxo-3-furancarboxylate, 3-Furancarboxylic acid, 2,5-dihydro-4-ethyl-5-methyl-2-oxo-, methyl ester
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 16848-76-3 |
|---|---|
| SMILES | CCC1=C(C(=O)OC1C)C(=O)OC |
| InChIKey | YXXSFBQZVBIZDU-UHFFFAOYSA-N |
Product Overview
4-Ethyl-3-(methoxycarbonyl)-5-methyl-3,4-didehydro-gamma-butyrolactone (CAS 16848-76-3), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: methyl 3-ethyl-2-methyl-5-oxo-2H-furan-4-carboxylate.
Chemical Property Profile of 4-Ethyl-3-(methoxycarbonyl)-5-methyl-3,4-didehydro-gamma-butyrolactone
Property Insights of 4-Ethyl-3-(methoxycarbonyl)-5-methyl-3,4-didehydro-gamma-butyrolactone
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethyl-3-(methoxycarbonyl)-5-methyl-3,4-didehydro-gamma-butyrolactone. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Ethyl-3-(methoxycarbonyl)-5-methyl-3,4-didehydro-gamma-butyrolactone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethyl-3-(methoxycarbonyl)-5-methyl-3,4-didehydro-gamma-butyrolactone 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 4-Ethyl-3-(methoxycarbonyl)-5-methyl-3,4-didehydro-gamma-butyrolactone?
The CAS number of 4-Ethyl-3-(methoxycarbonyl)-5-methyl-3,4-didehydro-gamma-butyrolactone is 16848-76-3.
What is the molecular formula of 4-Ethyl-3-(methoxycarbonyl)-5-methyl-3,4-didehydro-gamma-butyrolactone?
The molecular formula of 4-Ethyl-3-(methoxycarbonyl)-5-methyl-3,4-didehydro-gamma-butyrolactone is C9H12O4.
What is the molecular weight of 4-Ethyl-3-(methoxycarbonyl)-5-methyl-3,4-didehydro-gamma-butyrolactone?
The molecular weight of 4-Ethyl-3-(methoxycarbonyl)-5-methyl-3,4-didehydro-gamma-butyrolactone is 184.07 g/mol.
Where can I buy 4-Ethyl-3-(methoxycarbonyl)-5-methyl-3,4-didehydro-gamma-butyrolactone?
You can request a quote for 4-Ethyl-3-(methoxycarbonyl)-5-methyl-3,4-didehydro-gamma-butyrolactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethyl-3-(methoxycarbonyl)-5-methyl-3,4-didehydro-gamma-butyrolactone?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethyl-3-(methoxycarbonyl)-5-methyl-3,4-didehydro-gamma-butyrolactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.