methyl (1R)-1-hydroxy-4-methoxy-2-oxocyclopent-3-ene-1-carboxylate
TL;DR: methyl (1R)-1-hydroxy-4-methoxy-2-oxocyclopent-3-ene-1-carboxylate (CAS 76280-92-7) is a chemical compound with molecular formula C8H10O5 and molecular weight 186.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R)-1-hydroxy-4-methoxy-2-oxocyclopent-3-ene-1-carboxylate
Also Known As: KJELLMANIANONE, (-)-Kjellmanianone, (R)-(-)-Kjellmanianone, J2.119.226K, methyl (1R)-1-hydroxy-4-methoxy-2-oxocyclopent-3-ene-1-carboxylate
| Molecular Formula | C8H10O5 |
|---|---|
| Molecular Weight | 186.05 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 186.05283 |
| Heavy Atoms | 13 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 76280-92-7 |
|---|---|
| SMILES | COC1=CC(=O)[C@](C1)(C(=O)OC)O |
| InChIKey | YGCFLXLGPRNGTJ-MRVPVSSYSA-N |
Product Overview
methyl (1R)-1-hydroxy-4-methoxy-2-oxocyclopent-3-ene-1-carboxylate (CAS 76280-92-7), with molecular formula C8H10O5 and molecular weight 186.05 g/mol. IUPAC: methyl (1R)-1-hydroxy-4-methoxy-2-oxocyclopent-3-ene-1-carboxylate.
Chemical Property Profile of methyl (1R)-1-hydroxy-4-methoxy-2-oxocyclopent-3-ene-1-carboxylate
Property Insights of methyl (1R)-1-hydroxy-4-methoxy-2-oxocyclopent-3-ene-1-carboxylate
The XLogP value of -0.4 indicates that methyl (1R)-1-hydroxy-4-methoxy-2-oxocyclopent-3-ene-1-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (1R)-1-hydroxy-4-methoxy-2-oxocyclopent-3-ene-1-carboxylate. Following Lipinski's Rule of Five, methyl (1R)-1-hydroxy-4-methoxy-2-oxocyclopent-3-ene-1-carboxylate has 1 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 methyl (1R)-1-hydroxy-4-methoxy-2-oxocyclopent-3-ene-1-carboxylate?
The CAS number of methyl (1R)-1-hydroxy-4-methoxy-2-oxocyclopent-3-ene-1-carboxylate is 76280-92-7.
What is the molecular formula of methyl (1R)-1-hydroxy-4-methoxy-2-oxocyclopent-3-ene-1-carboxylate?
The molecular formula of methyl (1R)-1-hydroxy-4-methoxy-2-oxocyclopent-3-ene-1-carboxylate is C8H10O5.
What is the molecular weight of methyl (1R)-1-hydroxy-4-methoxy-2-oxocyclopent-3-ene-1-carboxylate?
The molecular weight of methyl (1R)-1-hydroxy-4-methoxy-2-oxocyclopent-3-ene-1-carboxylate is 186.05 g/mol.
Where can I buy methyl (1R)-1-hydroxy-4-methoxy-2-oxocyclopent-3-ene-1-carboxylate?
You can request a quote for methyl (1R)-1-hydroxy-4-methoxy-2-oxocyclopent-3-ene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (1R)-1-hydroxy-4-methoxy-2-oxocyclopent-3-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (1R)-1-hydroxy-4-methoxy-2-oxocyclopent-3-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.