Nectriapyrone
TL;DR: Nectriapyrone (CAS 57685-79-7) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(E)-but-2-en-2-yl]-4-methoxy-3-methylpyran-2-one
Also Known As: NECTRIAPYRONE, NRLCQITWKJENAT-FNORWQNLSA-, 6-[(E)-but-2-en-2-yl]-4-methoxy-3-methylpyran-2-one, 4-Methoxy-3-methyl-6-[(E)-1-methyl-1-propenyl]-2H-pyran-2-one, 6-((E)-But-2-en-2-yl)-4-methoxy-3-methylpyran-2-one
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.38002 |
| Topological Polar Surface Area | 39.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 413.0311 |
Chemical Identifiers
| CAS Number | 57685-79-7 |
|---|---|
| SMILES | C/C=C(\C)/C1=CC(=C(C(=O)O1)C)OC |
Product Overview
Nectriapyrone (CAS 57685-79-7), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 6-[(E)-but-2-en-2-yl]-4-methoxy-3-methylpyran-2-one.
Chemical Property Profile of Nectriapyrone
Property Insights of Nectriapyrone
The XLogP value of 2.38002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nectriapyrone. With a topological polar surface area (TPSA) of 39.44 Ų, Nectriapyrone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nectriapyrone 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 Nectriapyrone?
The CAS number of Nectriapyrone is 57685-79-7.
What is the molecular formula of Nectriapyrone?
The molecular formula of Nectriapyrone is C11H14O3.
What is the molecular weight of Nectriapyrone?
The molecular weight of Nectriapyrone is 194.09 g/mol.
Where can I buy Nectriapyrone?
You can request a quote for Nectriapyrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nectriapyrone?
Yes, KEHONG BIO provides custom synthesis services for Nectriapyrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.