![2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate structure](/static/products/445/445222-59-3.png)
2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
TL;DR: 2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate (CAS 445222-59-3) is a chemical compound with molecular formula C21H21N3O7 and molecular weight 427.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
Also Known As: 2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate, (R)-2-methoxyethyl 2'-amino-3'-cyano-1-(2-methoxy-2-oxoethyl)-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate, 2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate, methyl (3'-{2'-methoxyethoxycarbonyl}-6'-amino-5'-cyano-2'-methyl-2-oxo-2,3-dihydrospiro[1H-indol-3,4'-(4'H)-pyran]-1-yl)acetate
| Molecular Formula | C21H21N3O7 |
|---|---|
| Molecular Weight | 427.14 g/mol |
| LogP | 0.63168 |
| Topological Polar Surface Area | 141.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.13794 |
| Heavy Atoms | 31 |
| Complexity | 1053.2982 |
Chemical Identifiers
| CAS Number | 445222-59-3 |
|---|---|
| SMILES | CC1=C(C2(C3=CC=CC=C3N(C2=O)CC(=O)OC)C(=C(O1)N)C#N)C(=O)OCCOC |
Product Overview
2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate (CAS 445222-59-3), with molecular formula C21H21N3O7 and molecular weight 427.14 g/mol. IUPAC: 2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of 2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
Property Insights of 2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
The XLogP value of 0.63168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate. The TPSA of 141.18 Ų indicates high polarity, suggesting 2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-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, 2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate has 1 hydrogen bond donor(s) and 9 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 2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
The CAS number of 2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate is 445222-59-3.
What is the molecular formula of 2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
The molecular formula of 2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate is C21H21N3O7.
What is the molecular weight of 2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
The molecular weight of 2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate is 427.14 g/mol.
Where can I buy 2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
You can request a quote for 2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-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 2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-methoxyethyl 6'-amino-5'-cyano-1-(2-methoxy-2-oxoethyl)-2'-methyl-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.