dimethyl (1E,2Z)-5,5-dimethyl-7-oxo-3-pyrrolidin-1-ylcyclooc
TL;DR: dimethyl (1E,2Z)-5,5-dimethyl-7-oxo-3-pyrrolidin-1-ylcyclooc (CAS 35509-80-9) is a chemical compound with molecular formula C18H25NO5 and molecular weight 335.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5,5-dimethyl-7-oxo-3-pyrrolidin-1-ylcycloocta-2,8-diene-1,2-dicarboxylate
Also Known As: dimethyl (1E,2Z)-5,5-dimethyl-7-oxo-3-pyrrolidin-1-ylcyclooc, dimethyl 5,5-dimethyl-7-oxo-3-pyrrolidin-1-ylcycloocta-2,8-diene-1,2-dicarboxylate
| Molecular Formula | C18H25NO5 |
|---|---|
| Molecular Weight | 335.17 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 72.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.17328 |
| Heavy Atoms | 24 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 35509-80-9 |
|---|---|
| SMILES | CC1(CC(=O)C=C(C(=C(C1)N2CCCC2)C(=O)OC)C(=O)OC)C |
| InChIKey | FXJDXOPEVOAPAW-UHFFFAOYSA-N |
Product Overview
dimethyl (1E,2Z)-5,5-dimethyl-7-oxo-3-pyrrolidin-1-ylcyclooc (CAS 35509-80-9), with molecular formula C18H25NO5 and molecular weight 335.17 g/mol. IUPAC: dimethyl 5,5-dimethyl-7-oxo-3-pyrrolidin-1-ylcycloocta-2,8-diene-1,2-dicarboxylate.
Chemical Property Profile of dimethyl (1E,2Z)-5,5-dimethyl-7-oxo-3-pyrrolidin-1-ylcyclooc
Property Insights of dimethyl (1E,2Z)-5,5-dimethyl-7-oxo-3-pyrrolidin-1-ylcyclooc
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl (1E,2Z)-5,5-dimethyl-7-oxo-3-pyrrolidin-1-ylcyclooc. The TPSA of 72.9 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl (1E,2Z)-5,5-dimethyl-7-oxo-3-pyrrolidin-1-ylcyclooc. Following Lipinski's Rule of Five, dimethyl (1E,2Z)-5,5-dimethyl-7-oxo-3-pyrrolidin-1-ylcyclooc has 0 hydrogen bond donor(s) and 6 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 dimethyl (1E,2Z)-5,5-dimethyl-7-oxo-3-pyrrolidin-1-ylcyclooc?
The CAS number of dimethyl (1E,2Z)-5,5-dimethyl-7-oxo-3-pyrrolidin-1-ylcyclooc is 35509-80-9.
What is the molecular formula of dimethyl (1E,2Z)-5,5-dimethyl-7-oxo-3-pyrrolidin-1-ylcyclooc?
The molecular formula of dimethyl (1E,2Z)-5,5-dimethyl-7-oxo-3-pyrrolidin-1-ylcyclooc is C18H25NO5.
What is the molecular weight of dimethyl (1E,2Z)-5,5-dimethyl-7-oxo-3-pyrrolidin-1-ylcyclooc?
The molecular weight of dimethyl (1E,2Z)-5,5-dimethyl-7-oxo-3-pyrrolidin-1-ylcyclooc is 335.17 g/mol.
Where can I buy dimethyl (1E,2Z)-5,5-dimethyl-7-oxo-3-pyrrolidin-1-ylcyclooc?
You can request a quote for dimethyl (1E,2Z)-5,5-dimethyl-7-oxo-3-pyrrolidin-1-ylcyclooc directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl (1E,2Z)-5,5-dimethyl-7-oxo-3-pyrrolidin-1-ylcyclooc?
Yes, KEHONG BIO provides custom synthesis services for dimethyl (1E,2Z)-5,5-dimethyl-7-oxo-3-pyrrolidin-1-ylcyclooc and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.