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Methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-carboxylate
TL;DR: Methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-carboxylate (CAS 20867-01-0) is a chemical compound with molecular formula C14H12O4 and molecular weight 244.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-carboxylate
Also Known As: Fulvoplumierin, methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-carboxylate, methyl (7E)-7-[(E)-but-2-enylidene]-1-oxocyclopenta[c]pyran-4-carboxylate, methyl 7-(but-2-en-1-ylidene)-1-oxo-1,7-dihydrocyclopenta[c]pyran-4-carboxylate
| Molecular Formula | C14H12O4 |
|---|---|
| Molecular Weight | 244.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.07356 |
| Heavy Atoms | 18 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 20867-01-0 |
|---|---|
| SMILES | CC=CC=C1C=CC2=C1C(=O)OC=C2C(=O)OC |
| InChIKey | RFUJEBHESHKXKW-UHFFFAOYSA-N |
Product Overview
Methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-carboxylate (CAS 20867-01-0), with molecular formula C14H12O4 and molecular weight 244.07 g/mol. IUPAC: methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-carboxylate.
Chemical Property Profile of Methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-carboxylate
Property Insights of Methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-carboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-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 Methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-carboxylate?
The CAS number of Methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-carboxylate is 20867-01-0.
What is the molecular formula of Methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-carboxylate?
The molecular formula of Methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-carboxylate is C14H12O4.
What is the molecular weight of Methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-carboxylate?
The molecular weight of Methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-carboxylate is 244.07 g/mol.
Where can I buy Methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-carboxylate?
You can request a quote for Methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 7-but-2-enylidene-1-oxocyclopenta[c]pyran-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.