diethyl (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylate
TL;DR: diethyl (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylate (CAS 67945-22-6) is a chemical compound with molecular formula C11H18O4 and molecular weight 214.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-diethyl (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylate
Also Known As: diethyl (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylate, trans-Diethyl 3,3-dimethylcyclopropane-1,2-dicarboxylate, I14-91879, Diethyl (1R,2R)-3,3-dimethylcyclopropane-1,2-dicarboxylate, trans-3,3-dimethylcyclopropane-1,2-dicarboxylic aciddiethyl ester
| Molecular Formula | C11H18O4 |
|---|---|
| Molecular Weight | 214.12 g/mol |
| LogP | 1.3848 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.12051 |
| Heavy Atoms | 15 |
| Complexity | 243.76149 |
Chemical Identifiers
| CAS Number | 67945-22-6 |
|---|---|
| SMILES | CCOC(=O)[C@H]1[C@@H](C1(C)C)C(=O)OCC |
Product Overview
diethyl (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylate (CAS 67945-22-6), with molecular formula C11H18O4 and molecular weight 214.12 g/mol. IUPAC: trans-diethyl (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylate.
Chemical Property Profile of diethyl (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylate
Property Insights of diethyl (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylate
The XLogP value of 1.3848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylate. With a topological polar surface area (TPSA) of 52.6 Ų, diethyl (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, diethyl (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylate has 0 hydrogen bond donor(s) and 4 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 diethyl (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylate?
The CAS number of diethyl (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylate is 67945-22-6.
What is the molecular formula of diethyl (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylate?
The molecular formula of diethyl (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylate is C11H18O4.
What is the molecular weight of diethyl (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylate?
The molecular weight of diethyl (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylate is 214.12 g/mol.
Where can I buy diethyl (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylate?
You can request a quote for diethyl (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl (1S,2S)-3,3-dimethylcyclopropane-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.