![ethyl 7-cyano-1,3,4a-trimethyl-2,4-dioxo-5,8a-dihydropyrano[2,3-d]pyrimidine-5-carboxylate structure](/static/products/556/5567-21-5.png)
ethyl 7-cyano-1,3,4a-trimethyl-2,4-dioxo-5,8a-dihydropyrano[2,3-d]pyrimidine-5-carboxylate
TL;DR: ethyl 7-cyano-1,3,4a-trimethyl-2,4-dioxo-5,8a-dihydropyrano[2,3-d]pyrimidine-5-carboxylate (CAS 5567-21-5) is a chemical compound with molecular formula C14H17N3O5 and molecular weight 307.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-cyano-1,3,4a-trimethyl-2,4-dioxo-5,8a-dihydropyrano[2,3-d]pyrimidine-5-carboxylate
Also Known As: ethyl 7-cyano-1,3,4a-trimethyl-2,4-dioxo-5,8a-dihydropyrano[2,3-d]pyrimidine-5-carboxylate
| Molecular Formula | C14H17N3O5 |
|---|---|
| Molecular Weight | 307.12 g/mol |
| LogP | 0.45958 |
| Topological Polar Surface Area | 99.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 307.11682 |
| Heavy Atoms | 22 |
| Complexity | 608.0898 |
Chemical Identifiers
| CAS Number | 5567-21-5 |
|---|---|
| SMILES | CCOC(=O)C1C=C(OC2C1(C(=O)N(C(=O)N2C)C)C)C#N |
Product Overview
ethyl 7-cyano-1,3,4a-trimethyl-2,4-dioxo-5,8a-dihydropyrano[2,3-d]pyrimidine-5-carboxylate (CAS 5567-21-5), with molecular formula C14H17N3O5 and molecular weight 307.12 g/mol. IUPAC: ethyl 7-cyano-1,3,4a-trimethyl-2,4-dioxo-5,8a-dihydropyrano[2,3-d]pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 7-cyano-1,3,4a-trimethyl-2,4-dioxo-5,8a-dihydropyrano[2,3-d]pyrimidine-5-carboxylate
Property Insights of ethyl 7-cyano-1,3,4a-trimethyl-2,4-dioxo-5,8a-dihydropyrano[2,3-d]pyrimidine-5-carboxylate
The XLogP value of 0.45958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 7-cyano-1,3,4a-trimethyl-2,4-dioxo-5,8a-dihydropyrano[2,3-d]pyrimidine-5-carboxylate. The TPSA of 99.94 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 7-cyano-1,3,4a-trimethyl-2,4-dioxo-5,8a-dihydropyrano[2,3-d]pyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 7-cyano-1,3,4a-trimethyl-2,4-dioxo-5,8a-dihydropyrano[2,3-d]pyrimidine-5-carboxylate has 0 hydrogen bond donor(s) and 6 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 7-cyano-1,3,4a-trimethyl-2,4-dioxo-5,8a-dihydropyrano[2,3-d]pyrimidine-5-carboxylate?
The CAS number of ethyl 7-cyano-1,3,4a-trimethyl-2,4-dioxo-5,8a-dihydropyrano[2,3-d]pyrimidine-5-carboxylate is 5567-21-5.
What is the molecular formula of ethyl 7-cyano-1,3,4a-trimethyl-2,4-dioxo-5,8a-dihydropyrano[2,3-d]pyrimidine-5-carboxylate?
The molecular formula of ethyl 7-cyano-1,3,4a-trimethyl-2,4-dioxo-5,8a-dihydropyrano[2,3-d]pyrimidine-5-carboxylate is C14H17N3O5.
What is the molecular weight of ethyl 7-cyano-1,3,4a-trimethyl-2,4-dioxo-5,8a-dihydropyrano[2,3-d]pyrimidine-5-carboxylate?
The molecular weight of ethyl 7-cyano-1,3,4a-trimethyl-2,4-dioxo-5,8a-dihydropyrano[2,3-d]pyrimidine-5-carboxylate is 307.12 g/mol.
Where can I buy ethyl 7-cyano-1,3,4a-trimethyl-2,4-dioxo-5,8a-dihydropyrano[2,3-d]pyrimidine-5-carboxylate?
You can request a quote for ethyl 7-cyano-1,3,4a-trimethyl-2,4-dioxo-5,8a-dihydropyrano[2,3-d]pyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 7-cyano-1,3,4a-trimethyl-2,4-dioxo-5,8a-dihydropyrano[2,3-d]pyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 7-cyano-1,3,4a-trimethyl-2,4-dioxo-5,8a-dihydropyrano[2,3-d]pyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.