Dimethyl bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylate
TL;DR: Dimethyl bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylate (CAS 947-57-9) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
Also Known As: Dimethyl bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate, 2,3-Bis(methoxycarbonyl)norbornadiene, Dimethyl norbornadiene-2,3-dicarboxylate, Dimethyl 2,5-norbornadiene-2,3-dicarboxylate, Dimethyl bicyclo[2.2.1]-2,5-heptadiene-2,3-dicarboxylate
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 947-57-9 |
|---|---|
| SMILES | COC(=O)C1=C(C2CC1C=C2)C(=O)OC |
| InChIKey | WFKWXJMEUOLYOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylate (CAS 947-57-9), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: dimethyl bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate.
Chemical Property Profile of Dimethyl bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylate
Property Insights of Dimethyl bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylate has 0 hydrogen bond donor(s) and 4 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 bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylate?
The CAS number of Dimethyl bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylate is 947-57-9.
What is the molecular formula of Dimethyl bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylate?
The molecular formula of Dimethyl bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylate is C11H12O4.
What is the molecular weight of Dimethyl bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylate?
The molecular weight of Dimethyl bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylate is 208.07 g/mol.
Where can I buy Dimethyl bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylate?
You can request a quote for Dimethyl bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl bicyclo(2.2.1)hepta-2,5-diene-2,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.