Dimethyl 9-oxocyclonon-2-ene-1,2-dicarboxylate
TL;DR: Dimethyl 9-oxocyclonon-2-ene-1,2-dicarboxylate (CAS 68151-63-3) is a chemical compound with molecular formula C13H18O5 and molecular weight 254.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 9-oxocyclonon-2-ene-1,2-dicarboxylate
Also Known As: dimethyl 9-oxocyclonon-2-ene-1,2-dicarboxylate, dimethyl (2E)-9-oxocyclonon-2-ene-1,2-dicarboxylate
| Molecular Formula | C13H18O5 |
|---|---|
| Molecular Weight | 254.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.11542 |
| Heavy Atoms | 18 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 68151-63-3 |
|---|---|
| SMILES | COC(=O)C1C(=O)CCCCCC=C1C(=O)OC |
| InChIKey | RVUTWNXVYDDMRP-UHFFFAOYSA-N |
Product Overview
Dimethyl 9-oxocyclonon-2-ene-1,2-dicarboxylate (CAS 68151-63-3), with molecular formula C13H18O5 and molecular weight 254.12 g/mol. IUPAC: dimethyl 9-oxocyclonon-2-ene-1,2-dicarboxylate.
Chemical Property Profile of Dimethyl 9-oxocyclonon-2-ene-1,2-dicarboxylate
Property Insights of Dimethyl 9-oxocyclonon-2-ene-1,2-dicarboxylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 9-oxocyclonon-2-ene-1,2-dicarboxylate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 9-oxocyclonon-2-ene-1,2-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 9-oxocyclonon-2-ene-1,2-dicarboxylate has 0 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 Dimethyl 9-oxocyclonon-2-ene-1,2-dicarboxylate?
The CAS number of Dimethyl 9-oxocyclonon-2-ene-1,2-dicarboxylate is 68151-63-3.
What is the molecular formula of Dimethyl 9-oxocyclonon-2-ene-1,2-dicarboxylate?
The molecular formula of Dimethyl 9-oxocyclonon-2-ene-1,2-dicarboxylate is C13H18O5.
What is the molecular weight of Dimethyl 9-oxocyclonon-2-ene-1,2-dicarboxylate?
The molecular weight of Dimethyl 9-oxocyclonon-2-ene-1,2-dicarboxylate is 254.12 g/mol.
Where can I buy Dimethyl 9-oxocyclonon-2-ene-1,2-dicarboxylate?
You can request a quote for Dimethyl 9-oxocyclonon-2-ene-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 9-oxocyclonon-2-ene-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 9-oxocyclonon-2-ene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.