![ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate structure](/static/products/4452/445222-54-8.webp)
ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
TL;DR: ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate (CAS 445222-54-8) is a chemical compound with molecular formula C23H23N3O8 and molecular weight 469.15 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-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
Also Known As: ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate, ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate, ethyl 2'-amino-3'-cyano-6'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate, methyl (6'-amino-5'-cyano-3'-ethoxycarbonyl-2'-(2'-ethoxy-2'-oxoethyl)-2-oxo-2,3-dihydrospiro[1H-indole-3,4'-(4'H)-pyran]-1-yl)acetate
| Molecular Formula | C23H23N3O8 |
|---|---|
| Molecular Weight | 469.15 g/mol |
| LogP | 0.93848 |
| Topological Polar Surface Area | 158.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.14853 |
| Heavy Atoms | 34 |
| Complexity | 1162.9916 |
Chemical Identifiers
| CAS Number | 445222-54-8 |
|---|---|
| SMILES | CCOC(=O)CC1=C(C2(C3=CC=CC=C3N(C2=O)CC(=O)OC)C(=C(O1)N)C#N)C(=O)OCC |
Product Overview
ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate (CAS 445222-54-8), with molecular formula C23H23N3O8 and molecular weight 469.15 g/mol. IUPAC: ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
Property Insights of ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
The XLogP value of 0.93848 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate. The TPSA of 158.25 Ų indicates high polarity, suggesting ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate has 1 hydrogen bond donor(s) and 10 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-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate?
The CAS number of ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate is 445222-54-8.
What is the molecular formula of ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate?
The molecular formula of ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate is C23H23N3O8.
What is the molecular weight of ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate?
The molecular weight of ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate is 469.15 g/mol.
Where can I buy ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate?
You can request a quote for ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-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-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6'-amino-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-1-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.