Methyl 5-oxocyclopent-1-ene-1-heptanoate
TL;DR: Methyl 5-oxocyclopent-1-ene-1-heptanoate (CAS 34546-57-1) is a chemical compound with molecular formula C13H20O3 and molecular weight 224.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-(5-oxocyclopenten-1-yl)heptanoate
Also Known As: Methyl 5-oxocyclopent-1-ene-1-heptanoate, EINECS 252-080-3, methyl 7-(5-oxocyclopenten-1-yl)heptanoate, methyl 7-(5-oxocyclopent-1-en-1-yl)heptanoate, Methyl 7-(5-oxo-1-cyclopentenyl)heptanoate
| Molecular Formula | C13H20O3 |
|---|---|
| Molecular Weight | 224.14 g/mol |
| LogP | 2.7893 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 224.14125 |
| Heavy Atoms | 16 |
| Complexity | 278.90228 |
Chemical Identifiers
| CAS Number | 34546-57-1 |
|---|---|
| SMILES | COC(=O)CCCCCCC1=CCCC1=O |
Product Overview
Methyl 5-oxocyclopent-1-ene-1-heptanoate (CAS 34546-57-1), with molecular formula C13H20O3 and molecular weight 224.14 g/mol. IUPAC: methyl 7-(5-oxocyclopenten-1-yl)heptanoate.
Chemical Property Profile of Methyl 5-oxocyclopent-1-ene-1-heptanoate
Property Insights of Methyl 5-oxocyclopent-1-ene-1-heptanoate
The XLogP value of 2.7893 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-oxocyclopent-1-ene-1-heptanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 5-oxocyclopent-1-ene-1-heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-oxocyclopent-1-ene-1-heptanoate 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 Methyl 5-oxocyclopent-1-ene-1-heptanoate?
The CAS number of Methyl 5-oxocyclopent-1-ene-1-heptanoate is 34546-57-1.
What is the molecular formula of Methyl 5-oxocyclopent-1-ene-1-heptanoate?
The molecular formula of Methyl 5-oxocyclopent-1-ene-1-heptanoate is C13H20O3.
What is the molecular weight of Methyl 5-oxocyclopent-1-ene-1-heptanoate?
The molecular weight of Methyl 5-oxocyclopent-1-ene-1-heptanoate is 224.14 g/mol.
Where can I buy Methyl 5-oxocyclopent-1-ene-1-heptanoate?
You can request a quote for Methyl 5-oxocyclopent-1-ene-1-heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-oxocyclopent-1-ene-1-heptanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-oxocyclopent-1-ene-1-heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.