ethyl (1S,2S)-2-methylcyclopropane-1-carboxylate
TL;DR: ethyl (1S,2S)-2-methylcyclopropane-1-carboxylate (CAS 16764-71-9) 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.
trans-ethyl (1S,2S)-2-methylcyclopropane-1-carboxylate
Also Known As: ethyl (1S,2S)-2-methylcyclopropane-1-carboxylate, Ethyl 2-methylcyclopropanecarboxylate, J1.251.020I, ethyl (1S,2S)-2-methylcyclopropanecarboxylate, ethyl(1S,2S)-2-methylcyclopropane-1-carboxylate
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.4 |
| 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 | 120.0 |
Chemical Identifiers
| CAS Number | 16764-71-9 |
|---|---|
| SMILES | CCOC(=O)[C@H]1C[C@@H]1C |
| InChIKey | JWYSLVLBKXDZCW-WDSKDSINSA-N |
Product Overview
ethyl (1S,2S)-2-methylcyclopropane-1-carboxylate (CAS 16764-71-9), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: trans-ethyl (1S,2S)-2-methylcyclopropane-1-carboxylate.
Chemical Property Profile of ethyl (1S,2S)-2-methylcyclopropane-1-carboxylate
Property Insights of ethyl (1S,2S)-2-methylcyclopropane-1-carboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (1S,2S)-2-methylcyclopropane-1-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, ethyl (1S,2S)-2-methylcyclopropane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (1S,2S)-2-methylcyclopropane-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-methylcyclopropane-1-carboxylate?
The CAS number of ethyl (1S,2S)-2-methylcyclopropane-1-carboxylate is 16764-71-9.
What is the molecular formula of ethyl (1S,2S)-2-methylcyclopropane-1-carboxylate?
The molecular formula of ethyl (1S,2S)-2-methylcyclopropane-1-carboxylate is C7H12O2.
What is the molecular weight of ethyl (1S,2S)-2-methylcyclopropane-1-carboxylate?
The molecular weight of ethyl (1S,2S)-2-methylcyclopropane-1-carboxylate is 128.08 g/mol.
Where can I buy ethyl (1S,2S)-2-methylcyclopropane-1-carboxylate?
You can request a quote for ethyl (1S,2S)-2-methylcyclopropane-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-methylcyclopropane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (1S,2S)-2-methylcyclopropane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.