![Ethyl 2-cyano-3-hydroxy-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decane-2-carboxylate structure](/static/products/7224/7224-36-4.webp)
Ethyl 2-cyano-3-hydroxy-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decane-2-carboxylate
TL;DR: Ethyl 2-cyano-3-hydroxy-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decane-2-carboxylate (CAS 7224-36-4) is a chemical compound with molecular formula C18H21NO7 and molecular weight 363.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 8-cyano-7-hydroxy-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-8-carboxylate
Also Known As: Ethyl 2-cyano-3-hydroxy-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decane-2-carboxylate, ethyl 8-cyano-7-hydroxy-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-8-carboxylate, Methyl 4,6-O-benzylidene-3-cyano-3-deoxy-3-(ethoxycarbonyl)hexopyranoside
| Molecular Formula | C18H21NO7 |
|---|---|
| Molecular Weight | 363.13 g/mol |
| LogP | 0.90588 |
| Topological Polar Surface Area | 107.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.1318 |
| Heavy Atoms | 26 |
| Complexity | 675.86725 |
Chemical Identifiers
| CAS Number | 7224-36-4 |
|---|---|
| SMILES | CCOC(=O)C1(C(C(OC2C1OC(OC2)C3=CC=CC=C3)OC)O)C#N |
Product Overview
Ethyl 2-cyano-3-hydroxy-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decane-2-carboxylate (CAS 7224-36-4), with molecular formula C18H21NO7 and molecular weight 363.13 g/mol. IUPAC: ethyl 8-cyano-7-hydroxy-6-methoxy-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine-8-carboxylate.
Chemical Property Profile of Ethyl 2-cyano-3-hydroxy-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decane-2-carboxylate
Property Insights of Ethyl 2-cyano-3-hydroxy-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decane-2-carboxylate
The XLogP value of 0.90588 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-3-hydroxy-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decane-2-carboxylate. The TPSA of 107.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-hydroxy-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decane-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-hydroxy-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decane-2-carboxylate has 1 hydrogen bond donor(s) and 8 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 Ethyl 2-cyano-3-hydroxy-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decane-2-carboxylate?
The CAS number of Ethyl 2-cyano-3-hydroxy-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decane-2-carboxylate is 7224-36-4.
What is the molecular formula of Ethyl 2-cyano-3-hydroxy-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decane-2-carboxylate?
The molecular formula of Ethyl 2-cyano-3-hydroxy-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decane-2-carboxylate is C18H21NO7.
What is the molecular weight of Ethyl 2-cyano-3-hydroxy-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decane-2-carboxylate?
The molecular weight of Ethyl 2-cyano-3-hydroxy-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decane-2-carboxylate is 363.13 g/mol.
Where can I buy Ethyl 2-cyano-3-hydroxy-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decane-2-carboxylate?
You can request a quote for Ethyl 2-cyano-3-hydroxy-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decane-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-3-hydroxy-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decane-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-hydroxy-4-methoxy-9-phenyl-5,8,10-trioxabicyclo[4.4.0]decane-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.