Dimethyl cyclopent-1-ene-1,2-dicarboxylate
TL;DR: Dimethyl cyclopent-1-ene-1,2-dicarboxylate (CAS 13368-79-1) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl cyclopentene-1,2-dicarboxylate
Also Known As: dimethyl cyclopentene-1,2-dicarboxylate, Dimethyl cyclopent-1-ene-1,2-dicarboxylate, Dimethyl 1-cyclopentene-1,2-dicarboxylate, 1-Cyclopentene-1,2-dicarboxylic acid dimethyl ester, Dimethyl 1-cyclopentene-1,2-dicarboxylate #
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 13368-79-1 |
|---|---|
| SMILES | COC(=O)C1=C(CCC1)C(=O)OC |
| InChIKey | LFZHQDSHYGXSSO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl cyclopent-1-ene-1,2-dicarboxylate (CAS 13368-79-1), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: dimethyl cyclopentene-1,2-dicarboxylate.
Chemical Property Profile of Dimethyl cyclopent-1-ene-1,2-dicarboxylate
Property Insights of Dimethyl cyclopent-1-ene-1,2-dicarboxylate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl cyclopent-1-ene-1,2-dicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl cyclopent-1-ene-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl cyclopent-1-ene-1,2-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 cyclopent-1-ene-1,2-dicarboxylate?
The CAS number of Dimethyl cyclopent-1-ene-1,2-dicarboxylate is 13368-79-1.
What is the molecular formula of Dimethyl cyclopent-1-ene-1,2-dicarboxylate?
The molecular formula of Dimethyl cyclopent-1-ene-1,2-dicarboxylate is C9H12O4.
What is the molecular weight of Dimethyl cyclopent-1-ene-1,2-dicarboxylate?
The molecular weight of Dimethyl cyclopent-1-ene-1,2-dicarboxylate is 184.07 g/mol.
Where can I buy Dimethyl cyclopent-1-ene-1,2-dicarboxylate?
You can request a quote for Dimethyl cyclopent-1-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 cyclopent-1-ene-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl cyclopent-1-ene-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.