ethyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
TL;DR: ethyl (1S,2S)-2-phenylcyclopropane-1-carboxylate (CAS 946-39-4) 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 (1S,2S)-2-phenylcyclopropane-1-carboxylate
Also Known As: (1S,2S)-ethyl 2-phenylcyclopropanecarboxylate, ethyl (1S,2S)-2-phenylcyclopropane-1-carboxylate, Ethyl (1S,2S)-2-Phenylcyclopropanecarboxylate, trans-1-Carbethoxy-2-phenylcyclopropane, Ethyl trans-2-phenylcyclopropanecarboxylate
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.3532 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 318.35342 |
Chemical Identifiers
| CAS Number | 946-39-4 |
|---|---|
| SMILES | CCOC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2 |
Product Overview
ethyl (1S,2S)-2-phenylcyclopropane-1-carboxylate (CAS 946-39-4), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: trans-ethyl (1S,2S)-2-phenylcyclopropane-1-carboxylate.
Chemical Property Profile of ethyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
Property Insights of ethyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
The XLogP value of 2.3532 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (1S,2S)-2-phenylcyclopropane-1-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, ethyl (1S,2S)-2-phenylcyclopropane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (1S,2S)-2-phenylcyclopropane-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 (1S,2S)-2-phenylcyclopropane-1-carboxylate?
The CAS number of ethyl (1S,2S)-2-phenylcyclopropane-1-carboxylate is 946-39-4.
What is the molecular formula of ethyl (1S,2S)-2-phenylcyclopropane-1-carboxylate?
The molecular formula of ethyl (1S,2S)-2-phenylcyclopropane-1-carboxylate is C12H14O2.
What is the molecular weight of ethyl (1S,2S)-2-phenylcyclopropane-1-carboxylate?
The molecular weight of ethyl (1S,2S)-2-phenylcyclopropane-1-carboxylate is 190.10 g/mol.
Where can I buy ethyl (1S,2S)-2-phenylcyclopropane-1-carboxylate?
You can request a quote for ethyl (1S,2S)-2-phenylcyclopropane-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 (1S,2S)-2-phenylcyclopropane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (1S,2S)-2-phenylcyclopropane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.