![tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3'-carboxylate structure](/static/products/445/445223-05-2.png)
tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3'-carboxylate
TL;DR: tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3'-carboxylate (CAS 445223-05-2) is a chemical compound with molecular formula C28H27N3O6 and molecular weight 501.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3'-carboxylate
Also Known As: tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3'-carboxylate, tert-butyl 6'-amino-1-[2-(benzyloxy)-2-oxoethyl]-5'-cyano-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate, tert-butyl 6//'-amino-5//'-cyano-2//'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4//'-pyran]-3//'-carboxylate, (R)-tert-butyl 2'-amino-1-(2-(benzyloxy)-2-oxoethyl)-3'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate, benzyl (3'-[(tert-butoxy)carbonyl]-6'-amino-5'-cyano-2,3-dihydro-2'-methyl-2-oxo-[1H-indole-3,4'-(4'H)-pyran]-1-yl)acetate
| Molecular Formula | C28H27N3O6 |
|---|---|
| Molecular Weight | 501.19 g/mol |
| LogP | 3.35418 |
| Topological Polar Surface Area | 131.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 501.18997 |
| Heavy Atoms | 37 |
| Complexity | 1380.6178 |
Chemical Identifiers
| CAS Number | 445223-05-2 |
|---|---|
| SMILES | CC1=C(C2(C3=CC=CC=C3N(C2=O)CC(=O)OCC4=CC=CC=C4)C(=C(O1)N)C#N)C(=O)OC(C)(C)C |
Product Overview
tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3'-carboxylate (CAS 445223-05-2), with molecular formula C28H27N3O6 and molecular weight 501.19 g/mol. IUPAC: tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3'-carboxylate
Property Insights of tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3'-carboxylate
The XLogP value of 3.35418 indicates that tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3'-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.95 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3'-carboxylate. Following Lipinski's Rule of Five, tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3'-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3'-carboxylate?
The CAS number of tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3'-carboxylate is 445223-05-2.
What is the molecular formula of tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3'-carboxylate?
The molecular formula of tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3'-carboxylate is C28H27N3O6.
What is the molecular weight of tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3'-carboxylate?
The molecular weight of tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3'-carboxylate is 501.19 g/mol.
Where can I buy tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3'-carboxylate?
You can request a quote for tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[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 tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3'-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 6'-amino-5'-cyano-2'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3'-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.