Ethyl trans-2-phenylcyclopropanecarboxylate
TL;DR: Ethyl trans-2-phenylcyclopropanecarboxylate (CAS 34716-60-4) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-ethyl (1R,2R)-2-phenylcyclopropane-1-carboxylate
Also Known As: Ethyl trans-2-phenylcyclopropanecarboxylate, ethyl (1R,2R)-2-phenylcyclopropane-1-carboxylate, Ethyl trans-2-phenylcyclopropane-1-carboxylate, (1R,2R)-rel-Ethyl 2-phenylcyclopropanecarboxylate, ethyl (1R,2R)-rel-2-phenylcyclopropane-1-carboxylate
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 206.0 |
Chemical Identifiers
| CAS Number | 34716-60-4 |
|---|---|
| SMILES | CCOC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2 |
| InChIKey | SRGUIJLJERBBCM-WDEREUQCSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl trans-2-phenylcyclopropanecarboxylate (CAS 34716-60-4), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: trans-ethyl (1R,2R)-2-phenylcyclopropane-1-carboxylate.
Chemical Property Profile of Ethyl trans-2-phenylcyclopropanecarboxylate
Property Insights of Ethyl trans-2-phenylcyclopropanecarboxylate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl trans-2-phenylcyclopropanecarboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl trans-2-phenylcyclopropanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl trans-2-phenylcyclopropanecarboxylate 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 trans-2-phenylcyclopropanecarboxylate?
The CAS number of Ethyl trans-2-phenylcyclopropanecarboxylate is 34716-60-4.
What is the molecular formula of Ethyl trans-2-phenylcyclopropanecarboxylate?
The molecular formula of Ethyl trans-2-phenylcyclopropanecarboxylate is C12H14O2.
What is the molecular weight of Ethyl trans-2-phenylcyclopropanecarboxylate?
The molecular weight of Ethyl trans-2-phenylcyclopropanecarboxylate is 190.10 g/mol.
Where can I buy Ethyl trans-2-phenylcyclopropanecarboxylate?
You can request a quote for Ethyl trans-2-phenylcyclopropanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl trans-2-phenylcyclopropanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl trans-2-phenylcyclopropanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.