![ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate structure](/static/products/828/82820-45-9.png)
ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate
TL;DR: ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate (CAS 82820-45-9) is a chemical compound with molecular formula C19H17N3O5 and molecular weight 367.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate
Also Known As: ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate, Ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxo-2,3-dihydro-1H-spiro[isoquinoline-4,4'-pyran]-3'-carboxylate
| Molecular Formula | C19H17N3O5 |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 367.11682 |
| Heavy Atoms | 27 |
| Complexity | 834.0 |
Chemical Identifiers
| CAS Number | 82820-45-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C12C3=CC=CC=C3C(=O)N(C2=O)C)C#N)N)C |
| InChIKey | YLWYQCCIYCMLBH-UHFFFAOYSA-N |
Product Overview
ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate (CAS 82820-45-9), with molecular formula C19H17N3O5 and molecular weight 367.12 g/mol. IUPAC: ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate.
Chemical Property Profile of ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate
Property Insights of ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate. Following Lipinski's Rule of Five, ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate has 1 hydrogen bond donor(s) and 7 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 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate?
The CAS number of ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate is 82820-45-9.
What is the molecular formula of ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate?
The molecular formula of ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate is C19H17N3O5.
What is the molecular weight of ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate?
The molecular weight of ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate is 367.12 g/mol.
Where can I buy ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate?
You can request a quote for ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6'-amino-5'-cyano-2,2'-dimethyl-1,3-dioxospiro[isoquinoline-4,4'-pyran]-3'-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.