![tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate structure](/static/products/4452/445222-93-5.webp)
tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
TL;DR: tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate (CAS 445222-93-5) is a chemical compound with molecular formula C22H23N3O6 and molecular weight 425.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
Also Known As: tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate, tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate, methyl (6'-amino-5'-cyano-2-oxo-2,3-dihydro-3'-tert-butoxycarbonyl-2'-methylspiro[1H-indole-3,4'-(4'H)-pyran]-1-yl)acetate, tert-butyl 2'-amino-3'-cyano-1-(2-methoxy-2-oxoethyl)-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate
| Molecular Formula | C22H23N3O6 |
|---|---|
| Molecular Weight | 425.16 g/mol |
| LogP | 1.78378 |
| Topological Polar Surface Area | 131.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.1587 |
| Heavy Atoms | 31 |
| Complexity | 1089.1989 |
Chemical Identifiers
| CAS Number | 445222-93-5 |
|---|---|
| SMILES | CC1=C(C2(C3=CC=CC=C3N(C2=O)CC(=O)OC)C(=C(O1)N)C#N)C(=O)OC(C)(C)C |
Product Overview
tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate (CAS 445222-93-5), with molecular formula C22H23N3O6 and molecular weight 425.16 g/mol. IUPAC: tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
Property Insights of tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
The XLogP value of 1.78378 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate. The TPSA of 131.95 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate. Following Lipinski's Rule of Five, tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate has 1 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 tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate?
The CAS number of tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate is 445222-93-5.
What is the molecular formula of tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate?
The molecular formula of tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate is C22H23N3O6.
What is the molecular weight of tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate?
The molecular weight of tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate is 425.16 g/mol.
Where can I buy tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate?
You can request a quote for tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-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 tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.