Dimethyl 3-methylidenecyclopropane-1,2-dicarboxylate
TL;DR: Dimethyl 3-methylidenecyclopropane-1,2-dicarboxylate (CAS 55281-54-4) is a chemical compound with molecular formula C8H10O4 and molecular weight 170.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-methylidenecyclopropane-1,2-dicarboxylate
Also Known As: 1,2-dimethyl 3-methylidenecyclopropane-1,2-dicarboxylate, dimethyl 3-methylidenecyclopropane-1,2-dicarboxylate, Dimethyl 3-methylene-1,2-cyclopropanedicarboxylate, dimethyl 3-methylenecyclopropane-1,2-dicarboxylate, dimethyl 3-me-thylenecyclopropane-1,2-dicarboxylate
| Molecular Formula | C8H10O4 |
|---|---|
| Molecular Weight | 170.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.0579 |
| Heavy Atoms | 12 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 55281-54-4 |
|---|---|
| SMILES | COC(=O)C1C(C1=C)C(=O)OC |
| InChIKey | BBYRCAPYYSBUQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 3-methylidenecyclopropane-1,2-dicarboxylate (CAS 55281-54-4), with molecular formula C8H10O4 and molecular weight 170.06 g/mol. IUPAC: dimethyl 3-methylidenecyclopropane-1,2-dicarboxylate.
Chemical Property Profile of Dimethyl 3-methylidenecyclopropane-1,2-dicarboxylate
Property Insights of Dimethyl 3-methylidenecyclopropane-1,2-dicarboxylate
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3-methylidenecyclopropane-1,2-dicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 3-methylidenecyclopropane-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 3-methylidenecyclopropane-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 3-methylidenecyclopropane-1,2-dicarboxylate?
The CAS number of Dimethyl 3-methylidenecyclopropane-1,2-dicarboxylate is 55281-54-4.
What is the molecular formula of Dimethyl 3-methylidenecyclopropane-1,2-dicarboxylate?
The molecular formula of Dimethyl 3-methylidenecyclopropane-1,2-dicarboxylate is C8H10O4.
What is the molecular weight of Dimethyl 3-methylidenecyclopropane-1,2-dicarboxylate?
The molecular weight of Dimethyl 3-methylidenecyclopropane-1,2-dicarboxylate is 170.06 g/mol.
Where can I buy Dimethyl 3-methylidenecyclopropane-1,2-dicarboxylate?
You can request a quote for Dimethyl 3-methylidenecyclopropane-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 3-methylidenecyclopropane-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-methylidenecyclopropane-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.