![methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate structure](/static/products/133/133472-25-0.png)
methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate
TL;DR: methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate (CAS 133472-25-0) is a chemical compound with molecular formula C21H25FO2 and molecular weight 328.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate, Cyclopropanecarboxylic acid, 3-(2-(4-fluorophenyl)-1-octen-3-ynyl)-2,2-dimethyl-, methyl ester, (1alpha,3alpha(Z))-, Methyl (1R,3R)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethyl-cyclopropane-1-carboxylate, methyl cis-3-<(E)-2-(4-fluorophenyl)-2-(1-hexynyl)ethenyl>-2,2-dimethylcyclopropanecarboxylate
| Molecular Formula | C21H25FO2 |
|---|---|
| Molecular Weight | 328.18 g/mol |
| LogP | 4.8479 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.18387 |
| Heavy Atoms | 24 |
| Complexity | 674.0306 |
Chemical Identifiers
| CAS Number | 133472-25-0 |
|---|---|
| SMILES | CCCCC#C/C(=C\[C@H]1[C@H](C1(C)C)C(=O)OC)/C2=CC=C(C=C2)F |
Product Overview
methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate (CAS 133472-25-0), with molecular formula C21H25FO2 and molecular weight 328.18 g/mol. IUPAC: trans-methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate
Property Insights of methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate
The XLogP value of 4.8479 indicates that methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-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 methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate?
The CAS number of methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate is 133472-25-0.
What is the molecular formula of methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate?
The molecular formula of methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate is C21H25FO2.
What is the molecular weight of methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate?
The molecular weight of methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate is 328.18 g/mol.
Where can I buy methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate?
You can request a quote for methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (1R,3S)-3-[(Z)-2-(4-fluorophenyl)oct-1-en-3-ynyl]-2,2-dimethylcyclopropane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.