![methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate structure](/static/products/4452/445222-64-0.webp)
methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate
TL;DR: methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate (CAS 445222-64-0) is a chemical compound with molecular formula C21H19N3O6 and molecular weight 409.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate
Also Known As: methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate, 1-allyl-6'-amino-5'-cyano-1,3-dihydro-3'-methoxycarbonyl-2'-(2'-methoxy-2'-oxoethyl)-2-oxo-spiro[2H-indole-3,4'-(4'H)-pyran], methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate, (R)-methyl 1-allyl-2'-amino-3'-cyano-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate
| Molecular Formula | C21H19N3O6 |
|---|---|
| Molecular Weight | 409.13 g/mol |
| LogP | 1.17128 |
| Topological Polar Surface Area | 131.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.12738 |
| Heavy Atoms | 30 |
| Complexity | 1064.7451 |
Chemical Identifiers
| CAS Number | 445222-64-0 |
|---|---|
| SMILES | COC(=O)CC1=C(C2(C3=CC=CC=C3N(C2=O)CC=C)C(=C(O1)N)C#N)C(=O)OC |
Product Overview
methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate (CAS 445222-64-0), with molecular formula C21H19N3O6 and molecular weight 409.13 g/mol. IUPAC: methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate
Property Insights of methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate
The XLogP value of 1.17128 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate. The TPSA of 131.95 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate. Following Lipinski's Rule of Five, methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[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 methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate?
The CAS number of methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate is 445222-64-0.
What is the molecular formula of methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate?
The molecular formula of methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate is C21H19N3O6.
What is the molecular weight of methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate?
The molecular weight of methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate is 409.13 g/mol.
Where can I buy methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate?
You can request a quote for methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[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 methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6'-amino-5'-cyano-2'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3'-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.