Dimethyl 1,4-dioxooctahydropentalene-2,5-dicarboxylate
TL;DR: Dimethyl 1,4-dioxooctahydropentalene-2,5-dicarboxylate (CAS 63569-70-0) is a chemical compound with molecular formula C12H14O6 and molecular weight 254.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3,6-dioxo-1,2,3a,4,5,6a-hexahydropentalene-2,5-dicarboxylate
Also Known As: Dimethyl 1,4-dioxooctahydropentalene-2,5-dicarboxylate, dimethyl 3,6-dioxo-1,2,3a,4,5,6a-hexahydropentalene-2,5-dica, dimethyl 3,6-dioxo-1,2,3a,4,5,6a-hexahydropentalene-2,5-dicarboxylate, DIMETHYL 1,4-DIOXO-2,3,3A,5,6,6A-HEXAHYDROPENTALENE-2,5-DICARBOXYLATE
| Molecular Formula | C12H14O6 |
|---|---|
| Molecular Weight | 254.08 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 86.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.07904 |
| Heavy Atoms | 18 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 63569-70-0 |
|---|---|
| SMILES | COC(=O)C1CC2C(C1=O)CC(C2=O)C(=O)OC |
| InChIKey | JWSDLMRGFPUVFS-UHFFFAOYSA-N |
Product Overview
Dimethyl 1,4-dioxooctahydropentalene-2,5-dicarboxylate (CAS 63569-70-0), with molecular formula C12H14O6 and molecular weight 254.08 g/mol. IUPAC: dimethyl 3,6-dioxo-1,2,3a,4,5,6a-hexahydropentalene-2,5-dicarboxylate.
Chemical Property Profile of Dimethyl 1,4-dioxooctahydropentalene-2,5-dicarboxylate
Property Insights of Dimethyl 1,4-dioxooctahydropentalene-2,5-dicarboxylate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 1,4-dioxooctahydropentalene-2,5-dicarboxylate. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 1,4-dioxooctahydropentalene-2,5-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 1,4-dioxooctahydropentalene-2,5-dicarboxylate 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 1,4-dioxooctahydropentalene-2,5-dicarboxylate?
The CAS number of Dimethyl 1,4-dioxooctahydropentalene-2,5-dicarboxylate is 63569-70-0.
What is the molecular formula of Dimethyl 1,4-dioxooctahydropentalene-2,5-dicarboxylate?
The molecular formula of Dimethyl 1,4-dioxooctahydropentalene-2,5-dicarboxylate is C12H14O6.
What is the molecular weight of Dimethyl 1,4-dioxooctahydropentalene-2,5-dicarboxylate?
The molecular weight of Dimethyl 1,4-dioxooctahydropentalene-2,5-dicarboxylate is 254.08 g/mol.
Where can I buy Dimethyl 1,4-dioxooctahydropentalene-2,5-dicarboxylate?
You can request a quote for Dimethyl 1,4-dioxooctahydropentalene-2,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 1,4-dioxooctahydropentalene-2,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 1,4-dioxooctahydropentalene-2,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.