Ethyl 2-benzylcyclopropane-1-carboxylate
TL;DR: Ethyl 2-benzylcyclopropane-1-carboxylate (CAS 80248-94-8) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzylcyclopropane-1-carboxylate
Also Known As: ethyl 2-benzylcyclopropane-1-carboxylate, ethyl 2-benzylcyclopropanecarboxylate, 2-Benzylcyclopropanecarboxylic acid ethyl ester, ethyl2-benzylcyclopropanecarboxylate, J1.688.304B
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 80248-94-8 |
|---|---|
| SMILES | CCOC(=O)C1CC1CC2=CC=CC=C2 |
| InChIKey | KOACXUOASKUNMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-benzylcyclopropane-1-carboxylate (CAS 80248-94-8), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: ethyl 2-benzylcyclopropane-1-carboxylate.
Chemical Property Profile of Ethyl 2-benzylcyclopropane-1-carboxylate
Property Insights of Ethyl 2-benzylcyclopropane-1-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-benzylcyclopropane-1-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-benzylcyclopropane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-benzylcyclopropane-1-carboxylate 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 2-benzylcyclopropane-1-carboxylate?
The CAS number of Ethyl 2-benzylcyclopropane-1-carboxylate is 80248-94-8.
What is the molecular formula of Ethyl 2-benzylcyclopropane-1-carboxylate?
The molecular formula of Ethyl 2-benzylcyclopropane-1-carboxylate is C13H16O2.
What is the molecular weight of Ethyl 2-benzylcyclopropane-1-carboxylate?
The molecular weight of Ethyl 2-benzylcyclopropane-1-carboxylate is 204.12 g/mol.
Where can I buy Ethyl 2-benzylcyclopropane-1-carboxylate?
You can request a quote for Ethyl 2-benzylcyclopropane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-benzylcyclopropane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-benzylcyclopropane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.