![3-O'-ethyl 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate structure](/static/products/4452/445222-98-0.webp)
3-O'-ethyl 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate
TL;DR: 3-O'-ethyl 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate (CAS 445222-98-0) is a chemical compound with molecular formula C23H24N2O8 and molecular weight 456.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O'-ethyl 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate
Also Known As: 3-O'-ethyl 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate, 3'-ethyl 5'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate, 3-ethyl 5-methyl 1'-allyl-2-amino-1',3'-dihydro-6-(2-methoxy-2-oxoethyl)-2'-oxospiro[4H-pyran-4,3'-(2'H)-indole]-3,5-dicarboxylate, 3'-ethyl 5'-methyl 1-allyl-2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate
| Molecular Formula | C23H24N2O8 |
|---|---|
| Molecular Weight | 456.15 g/mol |
| LogP | 1.2108 |
| Topological Polar Surface Area | 134.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.15326 |
| Heavy Atoms | 33 |
| Complexity | 1103.4336 |
Chemical Identifiers
| CAS Number | 445222-98-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(OC(=C(C12C3=CC=CC=C3N(C2=O)CC=C)C(=O)OC)CC(=O)OC)N |
Product Overview
3-O'-ethyl 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate (CAS 445222-98-0), with molecular formula C23H24N2O8 and molecular weight 456.15 g/mol. IUPAC: 3-O'-ethyl 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate.
Chemical Property Profile of 3-O'-ethyl 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate
Property Insights of 3-O'-ethyl 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate
The XLogP value of 1.2108 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-O'-ethyl 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate. The TPSA of 134.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-O'-ethyl 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate. Following Lipinski's Rule of Five, 3-O'-ethyl 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate 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 3-O'-ethyl 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate?
The CAS number of 3-O'-ethyl 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate is 445222-98-0.
What is the molecular formula of 3-O'-ethyl 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate?
The molecular formula of 3-O'-ethyl 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate is C23H24N2O8.
What is the molecular weight of 3-O'-ethyl 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate?
The molecular weight of 3-O'-ethyl 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate is 456.15 g/mol.
Where can I buy 3-O'-ethyl 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate?
You can request a quote for 3-O'-ethyl 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O'-ethyl 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-O'-ethyl 5-O'-methyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.