propyl 2-oxo-2H-pyran-5-carboxylate
TL;DR: propyl 2-oxo-2H-pyran-5-carboxylate (CAS 220968-29-6) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 6-oxopyran-3-carboxylate
Also Known As: propyl 2-oxo-2H-pyran-5-carboxylate, propyl 6-oxopyran-3-carboxylate, 2H-Pyran-5-carboxylicacid,2-oxo-,propylester, J1.048.258E, 2-Oxo-2H-pyran-5-carboxylic acid propyl ester
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 1.2066 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 319.218 |
Chemical Identifiers
| CAS Number | 220968-29-6 |
|---|---|
| SMILES | CCCOC(=O)C1=COC(=O)C=C1 |
Product Overview
propyl 2-oxo-2H-pyran-5-carboxylate (CAS 220968-29-6), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: propyl 6-oxopyran-3-carboxylate.
Chemical Property Profile of propyl 2-oxo-2H-pyran-5-carboxylate
Property Insights of propyl 2-oxo-2H-pyran-5-carboxylate
The XLogP value of 1.2066 suggests moderate lipophilicity, balancing water solubility and membrane permeability for propyl 2-oxo-2H-pyran-5-carboxylate. With a topological polar surface area (TPSA) of 56.51 Ų, propyl 2-oxo-2H-pyran-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, propyl 2-oxo-2H-pyran-5-carboxylate has 0 hydrogen bond donor(s) and 4 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 propyl 2-oxo-2H-pyran-5-carboxylate?
The CAS number of propyl 2-oxo-2H-pyran-5-carboxylate is 220968-29-6.
What is the molecular formula of propyl 2-oxo-2H-pyran-5-carboxylate?
The molecular formula of propyl 2-oxo-2H-pyran-5-carboxylate is C9H10O4.
What is the molecular weight of propyl 2-oxo-2H-pyran-5-carboxylate?
The molecular weight of propyl 2-oxo-2H-pyran-5-carboxylate is 182.06 g/mol.
Where can I buy propyl 2-oxo-2H-pyran-5-carboxylate?
You can request a quote for propyl 2-oxo-2H-pyran-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propyl 2-oxo-2H-pyran-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propyl 2-oxo-2H-pyran-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.