![ethyl 6'-amino-5-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate structure](/static/products/497/497229-63-7.png)
ethyl 6'-amino-5-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
TL;DR: ethyl 6'-amino-5-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate (CAS 497229-63-7) is a chemical compound with molecular formula C20H18BrN3O6 and molecular weight 475.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6'-amino-5-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
Also Known As: ethyl 6'-amino-5-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate, ETHYL 2'-AMINO-5-BROMO-3'-CYANO-6'-(2-ETHOXY-2-OXOETHYL)-2-OXO-1,2-DIHYDROSPIRO[INDOLE-3,4'-PYRAN]-5'-CARBOXYLATE, ethyl 2'-amino-5-bromo-3'-cyano-6'-(2-ethoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate, ethyl 6'-amino-5-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
| Molecular Formula | C20H18BrN3O6 |
|---|---|
| Molecular Weight | 475.04 g/mol |
| LogP | 2.13348 |
| Topological Polar Surface Area | 140.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.0379 |
| Heavy Atoms | 30 |
| Complexity | 1055.1118 |
Chemical Identifiers
| CAS Number | 497229-63-7 |
|---|---|
| SMILES | CCOC(=O)CC1=C(C2(C3=C(C=CC(=C3)Br)NC2=O)C(=C(O1)N)C#N)C(=O)OCC |
Product Overview
ethyl 6'-amino-5-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate (CAS 497229-63-7), with molecular formula C20H18BrN3O6 and molecular weight 475.04 g/mol. IUPAC: ethyl 6'-amino-5-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of ethyl 6'-amino-5-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
Property Insights of ethyl 6'-amino-5-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
The XLogP value of 2.13348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6'-amino-5-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate. The TPSA of 140.74 Ų indicates high polarity, suggesting ethyl 6'-amino-5-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[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-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate has 2 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 6'-amino-5-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
The CAS number of ethyl 6'-amino-5-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate is 497229-63-7.
What is the molecular formula of ethyl 6'-amino-5-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
The molecular formula of ethyl 6'-amino-5-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate is C20H18BrN3O6.
What is the molecular weight of ethyl 6'-amino-5-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
The molecular weight of ethyl 6'-amino-5-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate is 475.04 g/mol.
Where can I buy ethyl 6'-amino-5-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
You can request a quote for ethyl 6'-amino-5-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[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-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6'-amino-5-bromo-5'-cyano-2'-(2-ethoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.