5-(2-methylpropyl)-3H-pyran-2,6-dione
TL;DR: 5-(2-methylpropyl)-3H-pyran-2,6-dione (CAS 120699-30-1) is a chemical compound with molecular formula C9H12O3 and molecular weight 168.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-methylpropyl)-3H-pyran-2,6-dione
Also Known As: 3-(2-methylpropyl)-5H-pyran-2,6-dione, 2-(2-methylpropyl)-pent-2-enedicarboxylic acid anhydride
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 1.4324 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 238.1582 |
Chemical Identifiers
| CAS Number | 120699-30-1 |
|---|---|
| SMILES | CC(C)CC1=CCC(=O)OC1=O |
Product Overview
5-(2-methylpropyl)-3H-pyran-2,6-dione (CAS 120699-30-1), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: 5-(2-methylpropyl)-3H-pyran-2,6-dione.
Chemical Property Profile of 5-(2-methylpropyl)-3H-pyran-2,6-dione
Property Insights of 5-(2-methylpropyl)-3H-pyran-2,6-dione
The XLogP value of 1.4324 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-methylpropyl)-3H-pyran-2,6-dione. With a topological polar surface area (TPSA) of 43.37 Ų, 5-(2-methylpropyl)-3H-pyran-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2-methylpropyl)-3H-pyran-2,6-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 5-(2-methylpropyl)-3H-pyran-2,6-dione?
The CAS number of 5-(2-methylpropyl)-3H-pyran-2,6-dione is 120699-30-1.
What is the molecular formula of 5-(2-methylpropyl)-3H-pyran-2,6-dione?
The molecular formula of 5-(2-methylpropyl)-3H-pyran-2,6-dione is C9H12O3.
What is the molecular weight of 5-(2-methylpropyl)-3H-pyran-2,6-dione?
The molecular weight of 5-(2-methylpropyl)-3H-pyran-2,6-dione is 168.08 g/mol.
Where can I buy 5-(2-methylpropyl)-3H-pyran-2,6-dione?
You can request a quote for 5-(2-methylpropyl)-3H-pyran-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-methylpropyl)-3H-pyran-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-methylpropyl)-3H-pyran-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.