Carbonic acid, ethyl 2-methyl-4-oxo-4H-pyran-3-yl ester
TL;DR: Carbonic acid, ethyl 2-methyl-4-oxo-4H-pyran-3-yl ester (CAS 68140-50-1) is a chemical compound with molecular formula C9H10O5 and molecular weight 198.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2-methyl-4-oxopyran-3-yl) carbonate
Also Known As: Ethyl 2-methyl-4-oxo-4H-pyran-3-yl carbonate, Carbonic acid, ethyl 2-methyl-4-oxo-4H-pyran-3-yl ester, ethyl (2-methyl-4-oxopyran-3-yl) carbonate, 4H-Pyran-4-one, 2-methyl-3-(ethoxycarbonyloxy)-, Carbonic acid ethyl=2-methyl-4-oxo-4H-pyran-3-yl ester
| Molecular Formula | C9H10O5 |
|---|---|
| Molecular Weight | 198.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 198.05283 |
| Heavy Atoms | 14 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 68140-50-1 |
|---|---|
| SMILES | CCOC(=O)OC1=C(OC=CC1=O)C |
| InChIKey | DQZXNGSIZXPSOD-UHFFFAOYSA-N |
Product Overview
Carbonic acid, ethyl 2-methyl-4-oxo-4H-pyran-3-yl ester (CAS 68140-50-1), with molecular formula C9H10O5 and molecular weight 198.05 g/mol. IUPAC: ethyl (2-methyl-4-oxopyran-3-yl) carbonate.
Chemical Property Profile of Carbonic acid, ethyl 2-methyl-4-oxo-4H-pyran-3-yl ester
Property Insights of Carbonic acid, ethyl 2-methyl-4-oxo-4H-pyran-3-yl ester
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbonic acid, ethyl 2-methyl-4-oxo-4H-pyran-3-yl ester. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbonic acid, ethyl 2-methyl-4-oxo-4H-pyran-3-yl ester. Following Lipinski's Rule of Five, Carbonic acid, ethyl 2-methyl-4-oxo-4H-pyran-3-yl ester has 0 hydrogen bond donor(s) and 5 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 Carbonic acid, ethyl 2-methyl-4-oxo-4H-pyran-3-yl ester?
The CAS number of Carbonic acid, ethyl 2-methyl-4-oxo-4H-pyran-3-yl ester is 68140-50-1.
What is the molecular formula of Carbonic acid, ethyl 2-methyl-4-oxo-4H-pyran-3-yl ester?
The molecular formula of Carbonic acid, ethyl 2-methyl-4-oxo-4H-pyran-3-yl ester is C9H10O5.
What is the molecular weight of Carbonic acid, ethyl 2-methyl-4-oxo-4H-pyran-3-yl ester?
The molecular weight of Carbonic acid, ethyl 2-methyl-4-oxo-4H-pyran-3-yl ester is 198.05 g/mol.
Where can I buy Carbonic acid, ethyl 2-methyl-4-oxo-4H-pyran-3-yl ester?
You can request a quote for Carbonic acid, ethyl 2-methyl-4-oxo-4H-pyran-3-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, ethyl 2-methyl-4-oxo-4H-pyran-3-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, ethyl 2-methyl-4-oxo-4H-pyran-3-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.