(E)-ethyl 2-cyano-3-(6,6-dimethyl-4-(pyrrolidin-1-yl)-5,6-dihydro-2H-pyran-3-yl)acrylate
TL;DR: (E)-ethyl 2-cyano-3-(6,6-dimethyl-4-(pyrrolidin-1-yl)-5,6-dihydro-2H-pyran-3-yl)acrylate (CAS 1164535-41-4) is a chemical compound with molecular formula C17H24N2O3 and molecular weight 304.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-(6,6-dimethyl-4-pyrrolidin-1-yl-2,5-dihydropyran-3-yl)prop-2-enoate
Also Known As: (E)-ethyl 2-cyano-3-(6,6-dimethyl-4-(pyrrolidin-1-yl)-5,6-dihydro-2H-pyran-3-yl)acrylate, ethyl (E)-2-cyano-3-(6,6-dimethyl-4-pyrrolidin-1-yl-2,5-dihydropyran-3-yl)prop-2-enoate, (E)-2-Cyano-3-(6,6-dimethyl-4-pyrrolidin-1-yl-5,6-dihydro-2H-pyran-3-yl)-acrylic acid ethyl ester, ethyl (2E)-2-cyano-3-[6,6-dimethyl-4-(pyrrolidin-1-yl)-5,6-dihydro-2H-pyran-3-yl]prop-2-enoate, Ethyl (E)-2-cyano-3-(6,6-dimethyl-4-(pyrrolidin-1-yl)-5,6-dihydro-2H-pyran-3-yl)acrylate
| Molecular Formula | C17H24N2O3 |
|---|---|
| Molecular Weight | 304.18 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 304.17868 |
| Heavy Atoms | 22 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 1164535-41-4 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C1=C(CC(OC1)(C)C)N2CCCC2)/C#N |
| InChIKey | GQRDSCLQQVQUKA-UKTHLTGXSA-N |
Product Overview
(E)-ethyl 2-cyano-3-(6,6-dimethyl-4-(pyrrolidin-1-yl)-5,6-dihydro-2H-pyran-3-yl)acrylate (CAS 1164535-41-4), with molecular formula C17H24N2O3 and molecular weight 304.18 g/mol. IUPAC: ethyl (E)-2-cyano-3-(6,6-dimethyl-4-pyrrolidin-1-yl-2,5-dihydropyran-3-yl)prop-2-enoate.
Chemical Property Profile of (E)-ethyl 2-cyano-3-(6,6-dimethyl-4-(pyrrolidin-1-yl)-5,6-dihydro-2H-pyran-3-yl)acrylate
Property Insights of (E)-ethyl 2-cyano-3-(6,6-dimethyl-4-(pyrrolidin-1-yl)-5,6-dihydro-2H-pyran-3-yl)acrylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-ethyl 2-cyano-3-(6,6-dimethyl-4-(pyrrolidin-1-yl)-5,6-dihydro-2H-pyran-3-yl)acrylate. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-cyano-3-(6,6-dimethyl-4-(pyrrolidin-1-yl)-5,6-dihydro-2H-pyran-3-yl)acrylate. Following Lipinski's Rule of Five, (E)-ethyl 2-cyano-3-(6,6-dimethyl-4-(pyrrolidin-1-yl)-5,6-dihydro-2H-pyran-3-yl)acrylate has 0 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 (E)-ethyl 2-cyano-3-(6,6-dimethyl-4-(pyrrolidin-1-yl)-5,6-dihydro-2H-pyran-3-yl)acrylate?
The CAS number of (E)-ethyl 2-cyano-3-(6,6-dimethyl-4-(pyrrolidin-1-yl)-5,6-dihydro-2H-pyran-3-yl)acrylate is 1164535-41-4.
What is the molecular formula of (E)-ethyl 2-cyano-3-(6,6-dimethyl-4-(pyrrolidin-1-yl)-5,6-dihydro-2H-pyran-3-yl)acrylate?
The molecular formula of (E)-ethyl 2-cyano-3-(6,6-dimethyl-4-(pyrrolidin-1-yl)-5,6-dihydro-2H-pyran-3-yl)acrylate is C17H24N2O3.
What is the molecular weight of (E)-ethyl 2-cyano-3-(6,6-dimethyl-4-(pyrrolidin-1-yl)-5,6-dihydro-2H-pyran-3-yl)acrylate?
The molecular weight of (E)-ethyl 2-cyano-3-(6,6-dimethyl-4-(pyrrolidin-1-yl)-5,6-dihydro-2H-pyran-3-yl)acrylate is 304.18 g/mol.
Where can I buy (E)-ethyl 2-cyano-3-(6,6-dimethyl-4-(pyrrolidin-1-yl)-5,6-dihydro-2H-pyran-3-yl)acrylate?
You can request a quote for (E)-ethyl 2-cyano-3-(6,6-dimethyl-4-(pyrrolidin-1-yl)-5,6-dihydro-2H-pyran-3-yl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 2-cyano-3-(6,6-dimethyl-4-(pyrrolidin-1-yl)-5,6-dihydro-2H-pyran-3-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-cyano-3-(6,6-dimethyl-4-(pyrrolidin-1-yl)-5,6-dihydro-2H-pyran-3-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.