prop-2-enyl 3,4-dihydro-2H-pyran-2-carboxylate
TL;DR: prop-2-enyl 3,4-dihydro-2H-pyran-2-carboxylate (CAS 6963-63-9) 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.
prop-2-enyl 3,4-dihydro-2H-pyran-2-carboxylate
Also Known As: prop-2-enyl 3,4-dihydro-2H-pyran-2-carboxylate, prop-2-en-1-yl 3,4-dihydro-2h-pyran-2-carboxylate, 2H-Pyran-2-carboxylicacid, 3,4-dihydro-, 2-propen-1-yl ester
| Molecular Formula | C9H12O3 |
|---|---|
| Molecular Weight | 168.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.07864 |
| Heavy Atoms | 12 |
| Complexity | 196.0 |
Chemical Identifiers
| CAS Number | 6963-63-9 |
|---|---|
| SMILES | C=CCOC(=O)C1CCC=CO1 |
| InChIKey | DEQLACPQYHZVQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
prop-2-enyl 3,4-dihydro-2H-pyran-2-carboxylate (CAS 6963-63-9), with molecular formula C9H12O3 and molecular weight 168.08 g/mol. IUPAC: prop-2-enyl 3,4-dihydro-2H-pyran-2-carboxylate.
Chemical Property Profile of prop-2-enyl 3,4-dihydro-2H-pyran-2-carboxylate
Property Insights of prop-2-enyl 3,4-dihydro-2H-pyran-2-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for prop-2-enyl 3,4-dihydro-2H-pyran-2-carboxylate. With a topological polar surface area (TPSA) of 35.5 Ų, prop-2-enyl 3,4-dihydro-2H-pyran-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, prop-2-enyl 3,4-dihydro-2H-pyran-2-carboxylate 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 prop-2-enyl 3,4-dihydro-2H-pyran-2-carboxylate?
The CAS number of prop-2-enyl 3,4-dihydro-2H-pyran-2-carboxylate is 6963-63-9.
What is the molecular formula of prop-2-enyl 3,4-dihydro-2H-pyran-2-carboxylate?
The molecular formula of prop-2-enyl 3,4-dihydro-2H-pyran-2-carboxylate is C9H12O3.
What is the molecular weight of prop-2-enyl 3,4-dihydro-2H-pyran-2-carboxylate?
The molecular weight of prop-2-enyl 3,4-dihydro-2H-pyran-2-carboxylate is 168.08 g/mol.
Where can I buy prop-2-enyl 3,4-dihydro-2H-pyran-2-carboxylate?
You can request a quote for prop-2-enyl 3,4-dihydro-2H-pyran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for prop-2-enyl 3,4-dihydro-2H-pyran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for prop-2-enyl 3,4-dihydro-2H-pyran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.