4-hexyldihydro-2H-pyran-2,6(3H)-dione
TL;DR: 4-hexyldihydro-2H-pyran-2,6(3H)-dione (CAS 400879-41-6) is a chemical compound with molecular formula C11H18O3 and molecular weight 198.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hexyloxane-2,6-dione
Also Known As: 4-hexyloxane-2,6-dione, 4-hexyldihydro-2H-pyran-2,6(3H)-dione
| Molecular Formula | C11H18O3 |
|---|---|
| Molecular Weight | 198.13 g/mol |
| LogP | 2.4366 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.1256 |
| Heavy Atoms | 14 |
| Complexity | 194.57819 |
Chemical Identifiers
| CAS Number | 400879-41-6 |
|---|---|
| SMILES | CCCCCCC1CC(=O)OC(=O)C1 |
Product Overview
4-hexyldihydro-2H-pyran-2,6(3H)-dione (CAS 400879-41-6), with molecular formula C11H18O3 and molecular weight 198.13 g/mol. IUPAC: 4-hexyloxane-2,6-dione.
Chemical Property Profile of 4-hexyldihydro-2H-pyran-2,6(3H)-dione
Property Insights of 4-hexyldihydro-2H-pyran-2,6(3H)-dione
The XLogP value of 2.4366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-hexyldihydro-2H-pyran-2,6(3H)-dione. With a topological polar surface area (TPSA) of 43.37 Ų, 4-hexyldihydro-2H-pyran-2,6(3H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-hexyldihydro-2H-pyran-2,6(3H)-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 4-hexyldihydro-2H-pyran-2,6(3H)-dione?
The CAS number of 4-hexyldihydro-2H-pyran-2,6(3H)-dione is 400879-41-6.
What is the molecular formula of 4-hexyldihydro-2H-pyran-2,6(3H)-dione?
The molecular formula of 4-hexyldihydro-2H-pyran-2,6(3H)-dione is C11H18O3.
What is the molecular weight of 4-hexyldihydro-2H-pyran-2,6(3H)-dione?
The molecular weight of 4-hexyldihydro-2H-pyran-2,6(3H)-dione is 198.13 g/mol.
Where can I buy 4-hexyldihydro-2H-pyran-2,6(3H)-dione?
You can request a quote for 4-hexyldihydro-2H-pyran-2,6(3H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-hexyldihydro-2H-pyran-2,6(3H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-hexyldihydro-2H-pyran-2,6(3H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.