Ethyl 1-methylcyclopropanecarboxylate
TL;DR: Ethyl 1-methylcyclopropanecarboxylate (CAS 71441-76-4) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methylcyclopropane-1-carboxylate
Also Known As: Ethyl 1-methylcyclopropanecarboxylate, ethyl 1-methylcyclopropane-1-carboxylate, 1-methylcyclopropanecarboxylic acid ethyl ester, EINECS 275-461-6, ethyl1-methylcyclopropanecarboxylate
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 71441-76-4 |
|---|---|
| SMILES | CCOC(=O)C1(CC1)C |
| InChIKey | IZPYNZLFBUQGCZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1-methylcyclopropanecarboxylate (CAS 71441-76-4), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: ethyl 1-methylcyclopropane-1-carboxylate.
Chemical Property Profile of Ethyl 1-methylcyclopropanecarboxylate
Property Insights of Ethyl 1-methylcyclopropanecarboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-methylcyclopropanecarboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 1-methylcyclopropanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-methylcyclopropanecarboxylate has 0 hydrogen bond donor(s) and 2 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 Ethyl 1-methylcyclopropanecarboxylate?
The CAS number of Ethyl 1-methylcyclopropanecarboxylate is 71441-76-4.
What is the molecular formula of Ethyl 1-methylcyclopropanecarboxylate?
The molecular formula of Ethyl 1-methylcyclopropanecarboxylate is C7H12O2.
What is the molecular weight of Ethyl 1-methylcyclopropanecarboxylate?
The molecular weight of Ethyl 1-methylcyclopropanecarboxylate is 128.08 g/mol.
Where can I buy Ethyl 1-methylcyclopropanecarboxylate?
You can request a quote for Ethyl 1-methylcyclopropanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-methylcyclopropanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-methylcyclopropanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.