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5-O'-ethyl 3-O'-methyl 2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate structure
Fine Chemical

5-O'-ethyl 3-O'-methyl 2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate

TL;DR: 5-O'-ethyl 3-O'-methyl 2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate (CAS 461430-41-1) is a chemical compound with molecular formula C21H22N2O6 and molecular weight 398.1478 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

5-O'-ethyl 3-O'-methyl 2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate

Also Known As: 5-O'-ethyl 3-O'-methyl 2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate, 5'-ethyl 3'-methyl 2'-amino-6'-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate, 5-ethyl 3-methyl 1'-allyl-2-amino-1',3'-dihydro-6-methyl-2'-oxospiro[4H-pyran-4,3'-2'H-indole]-3,5-dicarboxylate, 5'-ethyl 3'-methyl 1-allyl-2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate

CAS Number
461430-41-1
Molecular Formula
C21H22N2O6
Molecular Weight
398.1478 g/mol
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Technical Specifications

Molecular FormulaC21H22N2O6
Molecular Weight398.1478 g/mol
XLogP2.1
Topological Polar Surface Area (TPSA)108.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors7
Rotatable Bonds7
Exact Mass398.1478 Da
Heavy Atoms29
Complexity814.0
SMILESCCOC(=O)C1=C(OC(=C(C12C3=CC=CC=C3N(C2=O)CC=C)C(=O)OC)N)C
InChIKeyDFCXLXXQMBTRQL-UHFFFAOYSA-N

Product Description

Applications: AC1MX4CU is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1MX4CU (CAS 461430-41-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

AC1MX4CU (CAS 461430-41-1) is a fine chemical with the molecular formula C21H22N2O6 and a molecular weight of 398.15 g/mol. It is also known as AK-777/14942005 and 5-O'-ethyl 3-O'-methyl 2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate.

CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of 5-O'-ethyl 3-O'-methyl 2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate

XLogP
2.1
TPSA (Topological Polar Surface Area)
108.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
7
Rotatable Bonds
7
Heavy Atoms
29
Complexity
814.0
Exact Mass
398.1478
Monoisotopic Mass
398.1478
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 5-O'-ethyl 3-O'-methyl 2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate

The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-O'-ethyl 3-O'-methyl 2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-O'-ethyl 3-O'-methyl 2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate. Following Lipinski's Rule of Five, 5-O'-ethyl 3-O'-methyl 2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 5-O'-ethyl 3-O'-methyl 2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate?

The CAS number of 5-O'-ethyl 3-O'-methyl 2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate is 461430-41-1.

What is the molecular formula of 5-O'-ethyl 3-O'-methyl 2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate?

The molecular formula of 5-O'-ethyl 3-O'-methyl 2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate is C21H22N2O6.

What is the molecular weight of 5-O'-ethyl 3-O'-methyl 2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate?

The molecular weight of 5-O'-ethyl 3-O'-methyl 2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate is 398.1478 g/mol.

What are the applications of 5-O'-ethyl 3-O'-methyl 2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate?

AC1MX4CU is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1MX4CU (CAS 461430-41-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

Where can I buy 5-O'-ethyl 3-O'-methyl 2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate?

You can request a quote for 5-O'-ethyl 3-O'-methyl 2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 5-O'-ethyl 3-O'-methyl 2'-amino-6'-methyl-2-oxo-1-prop-2-enylspiro[indole-3,4'-pyran]-3',5'-dicarboxylate?

Yes, CoreyChem provides custom synthesis services for 5-O'-ethyl 3-O'-methyl 2'-amino-6'-methyl-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.

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