6-ethyl-3,4-dihydro-2H-pyran-2,4-dione
TL;DR: 6-ethyl-3,4-dihydro-2H-pyran-2,4-dione (CAS 4435-30-7) 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.
6-ethylpyran-2,4-dione
Also Known As: 6-ethylpyran-2,4-dione, 6-ethyl-3,4-dihydro-2H-pyran-2,4-dione, 6-Ethyl-2H-pyran-2,4(3H)-dione, 6-Ethyl-2,3-dihydropyran-2,4-dione, 6-Ethyl-2H-pyran-2,4(3H)-dione #
| Molecular Formula | C7H8O3 |
|---|---|
| Molecular Weight | 140.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.04735 |
| Heavy Atoms | 10 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 4435-30-7 |
|---|---|
| SMILES | CCC1=CC(=O)CC(=O)O1 |
| InChIKey | RUVLELZZCSEORC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-ethyl-3,4-dihydro-2H-pyran-2,4-dione (CAS 4435-30-7), with molecular formula C7H8O3 and molecular weight 140.05 g/mol. IUPAC: 6-ethylpyran-2,4-dione.
Chemical Property Profile of 6-ethyl-3,4-dihydro-2H-pyran-2,4-dione
Property Insights of 6-ethyl-3,4-dihydro-2H-pyran-2,4-dione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-ethyl-3,4-dihydro-2H-pyran-2,4-dione. With a topological polar surface area (TPSA) of 43.4 Ų, 6-ethyl-3,4-dihydro-2H-pyran-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-ethyl-3,4-dihydro-2H-pyran-2,4-dione 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 6-ethyl-3,4-dihydro-2H-pyran-2,4-dione?
The CAS number of 6-ethyl-3,4-dihydro-2H-pyran-2,4-dione is 4435-30-7.
What is the molecular formula of 6-ethyl-3,4-dihydro-2H-pyran-2,4-dione?
The molecular formula of 6-ethyl-3,4-dihydro-2H-pyran-2,4-dione is C7H8O3.
What is the molecular weight of 6-ethyl-3,4-dihydro-2H-pyran-2,4-dione?
The molecular weight of 6-ethyl-3,4-dihydro-2H-pyran-2,4-dione is 140.05 g/mol.
Where can I buy 6-ethyl-3,4-dihydro-2H-pyran-2,4-dione?
You can request a quote for 6-ethyl-3,4-dihydro-2H-pyran-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-ethyl-3,4-dihydro-2H-pyran-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-ethyl-3,4-dihydro-2H-pyran-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.