抗倒酯
TL;DR: 抗倒酯 (CAS 95266-40-3) is a chemical compound with molecular formula C13H16O5 and molecular weight 252.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
抗倒酯
ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate
Also Known As: Trinexapac-ethyl, Cimectacarb, Moddus, Primo, Trinexapac-ethyl [ISO]
| Molecular Formula | C13H16O5 |
|---|---|
| Molecular Weight | 252.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.09978 |
| Heavy Atoms | 18 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 95266-40-3 |
|---|---|
| SMILES | CCOC(=O)C1CC(=O)C(=C(C2CC2)O)C(=O)C1 |
| InChIKey | RVKCCVTVZORVGD-UHFFFAOYSA-N |
Product Overview
抗倒酯 (CAS 95266-40-3), with molecular formula C13H16O5 and molecular weight 252.10 g/mol. IUPAC: ethyl 4-[cyclopropyl(hydroxy)methylidene]-3,5-dioxocyclohexane-1-carboxylate.
Chemical Property Profile of 抗倒酯
Property Insights of 抗倒酯
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 抗倒酯. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 抗倒酯. Following Lipinski's Rule of Five, 抗倒酯 has 1 hydrogen bond donor(s) and 5 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 抗倒酯?
The CAS number of 抗倒酯 is 95266-40-3.
What is the molecular formula of 抗倒酯?
The molecular formula of 抗倒酯 is C13H16O5.
What is the molecular weight of 抗倒酯?
The molecular weight of 抗倒酯 is 252.10 g/mol.
Where can I buy 抗倒酯?
You can request a quote for 抗倒酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 抗倒酯?
Yes, KEHONG BIO provides custom synthesis services for 抗倒酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.