4-Methoxy-6-((1-butyl)heptyl)-2H-pyran-2-one
TL;DR: 4-Methoxy-6-((1-butyl)heptyl)-2H-pyran-2-one (CAS 90632-47-6) is a chemical compound with molecular formula C17H28O3 and molecular weight 280.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-6-undecan-5-ylpyran-2-one
Also Known As: 4-Mobhp, 4-methoxy-6-undecan-5-ylpyran-2-one, 4-methoxy-6-( -2H-pyran-2-one, 4-methoxy-6-undecylpyran-2-one, 2H-Pyran-2-one, 6-(1-butylheptyl)-4-methoxy-
| Molecular Formula | C17H28O3 |
|---|---|
| Molecular Weight | 280.20 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 280.20386 |
| Heavy Atoms | 20 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 90632-47-6 |
|---|---|
| SMILES | CCCCCCC(CCCC)C1=CC(=CC(=O)O1)OC |
| InChIKey | SVLITVXQXAHLNU-UHFFFAOYSA-N |
Product Overview
4-Methoxy-6-((1-butyl)heptyl)-2H-pyran-2-one (CAS 90632-47-6), with molecular formula C17H28O3 and molecular weight 280.20 g/mol. IUPAC: 4-methoxy-6-undecan-5-ylpyran-2-one.
Chemical Property Profile of 4-Methoxy-6-((1-butyl)heptyl)-2H-pyran-2-one
Property Insights of 4-Methoxy-6-((1-butyl)heptyl)-2H-pyran-2-one
The XLogP value of 5.6 indicates that 4-Methoxy-6-((1-butyl)heptyl)-2H-pyran-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 4-Methoxy-6-((1-butyl)heptyl)-2H-pyran-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxy-6-((1-butyl)heptyl)-2H-pyran-2-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Methoxy-6-((1-butyl)heptyl)-2H-pyran-2-one?
The CAS number of 4-Methoxy-6-((1-butyl)heptyl)-2H-pyran-2-one is 90632-47-6.
What is the molecular formula of 4-Methoxy-6-((1-butyl)heptyl)-2H-pyran-2-one?
The molecular formula of 4-Methoxy-6-((1-butyl)heptyl)-2H-pyran-2-one is C17H28O3.
What is the molecular weight of 4-Methoxy-6-((1-butyl)heptyl)-2H-pyran-2-one?
The molecular weight of 4-Methoxy-6-((1-butyl)heptyl)-2H-pyran-2-one is 280.20 g/mol.
Where can I buy 4-Methoxy-6-((1-butyl)heptyl)-2H-pyran-2-one?
You can request a quote for 4-Methoxy-6-((1-butyl)heptyl)-2H-pyran-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxy-6-((1-butyl)heptyl)-2H-pyran-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxy-6-((1-butyl)heptyl)-2H-pyran-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.