cis-methyl (1R,2R)-2-ethynyl-2-methylcyclopropane-1-carboxylate
TL;DR: cis-methyl (1R,2R)-2-ethynyl-2-methylcyclopropane-1-carboxylate (CAS 79150-67-7) is a chemical compound with molecular formula C8H10O2 and molecular weight 138.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-methyl (1R,2R)-2-ethynyl-2-methylcyclopropane-1-carboxylate
Also Known As: Cyclopropanecarboxylicacid,2-ethynyl-2-methyl-,methylester,cis-, Methyl (1R,2R)-2-ethynyl-2-methyl-cyclopropane-1-carboxylate, Cyclopropanecarboxylic acid, 2-ethynyl-2-methyl-, methyl ester, trans- (9CI)
| Molecular Formula | C8H10O2 |
|---|---|
| Molecular Weight | 138.07 g/mol |
| LogP | 0.8188 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 138.06808 |
| Heavy Atoms | 10 |
| Complexity | 201.79335 |
Chemical Identifiers
| CAS Number | 79150-67-7 |
|---|---|
| SMILES | C[C@]1(C[C@H]1C(=O)OC)C#C |
Product Overview
cis-methyl (1R,2R)-2-ethynyl-2-methylcyclopropane-1-carboxylate (CAS 79150-67-7), with molecular formula C8H10O2 and molecular weight 138.07 g/mol. IUPAC: cis-methyl (1R,2R)-2-ethynyl-2-methylcyclopropane-1-carboxylate.
Chemical Property Profile of cis-methyl (1R,2R)-2-ethynyl-2-methylcyclopropane-1-carboxylate
Property Insights of cis-methyl (1R,2R)-2-ethynyl-2-methylcyclopropane-1-carboxylate
The XLogP value of 0.8188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-methyl (1R,2R)-2-ethynyl-2-methylcyclopropane-1-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, cis-methyl (1R,2R)-2-ethynyl-2-methylcyclopropane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-methyl (1R,2R)-2-ethynyl-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 cis-methyl (1R,2R)-2-ethynyl-2-methylcyclopropane-1-carboxylate?
The CAS number of cis-methyl (1R,2R)-2-ethynyl-2-methylcyclopropane-1-carboxylate is 79150-67-7.
What is the molecular formula of cis-methyl (1R,2R)-2-ethynyl-2-methylcyclopropane-1-carboxylate?
The molecular formula of cis-methyl (1R,2R)-2-ethynyl-2-methylcyclopropane-1-carboxylate is C8H10O2.
What is the molecular weight of cis-methyl (1R,2R)-2-ethynyl-2-methylcyclopropane-1-carboxylate?
The molecular weight of cis-methyl (1R,2R)-2-ethynyl-2-methylcyclopropane-1-carboxylate is 138.07 g/mol.
Where can I buy cis-methyl (1R,2R)-2-ethynyl-2-methylcyclopropane-1-carboxylate?
You can request a quote for cis-methyl (1R,2R)-2-ethynyl-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 cis-methyl (1R,2R)-2-ethynyl-2-methylcyclopropane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for cis-methyl (1R,2R)-2-ethynyl-2-methylcyclopropane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.