![ethyl 6'-amino-6-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate structure](/static/products/3545/354542-71-5.webp)
ethyl 6'-amino-6-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
TL;DR: ethyl 6'-amino-6-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate (CAS 354542-71-5) is a chemical compound with molecular formula C17H14BrN3O4 and molecular weight 403.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6'-amino-6-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
Also Known As: ethyl 6'-amino-6-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate, 6-amino-6'-bromo-5-cyano-1',3'-dihydro-3-ethoxycarbonyl-2-methyl-2'-oxospiro[4H-pyran-4,3'-(2'H)-indole], ethyl 2'-amino-6-bromo-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate, ethyl 2'-amino-6-bromo-3'-cyano-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-5'-carboxylate
| Molecular Formula | C17H14BrN3O4 |
|---|---|
| Molecular Weight | 403.02 g/mol |
| LogP | 2.20018 |
| Topological Polar Surface Area | 114.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.01678 |
| Heavy Atoms | 25 |
| Complexity | 912.9583 |
Chemical Identifiers
| CAS Number | 354542-71-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C12C3=C(C=C(C=C3)Br)NC2=O)C#N)N)C |
Product Overview
ethyl 6'-amino-6-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate (CAS 354542-71-5), with molecular formula C17H14BrN3O4 and molecular weight 403.02 g/mol. IUPAC: ethyl 6'-amino-6-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of ethyl 6'-amino-6-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
Property Insights of ethyl 6'-amino-6-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
The XLogP value of 2.20018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6'-amino-6-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate. The TPSA of 114.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6'-amino-6-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate. Following Lipinski's Rule of Five, ethyl 6'-amino-6-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate has 2 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 6'-amino-6-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate?
The CAS number of ethyl 6'-amino-6-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate is 354542-71-5.
What is the molecular formula of ethyl 6'-amino-6-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate?
The molecular formula of ethyl 6'-amino-6-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate is C17H14BrN3O4.
What is the molecular weight of ethyl 6'-amino-6-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate?
The molecular weight of ethyl 6'-amino-6-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate is 403.02 g/mol.
Where can I buy ethyl 6'-amino-6-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate?
You can request a quote for ethyl 6'-amino-6-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-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-6-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6'-amino-6-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.