![ethyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate structure](/static/products/4452/445222-95-7.webp)
ethyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate
TL;DR: ethyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate (CAS 445222-95-7) is a chemical compound with molecular formula C21H19N3O5 and molecular weight 393.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate
Also Known As: ethyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate, (R)-ethyl 2-(2-amino-3-cyano-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indolin]-1'-yl)acetate, ethyl (2'-amino-3'-cyano-2,5'dioxo-2,3,5',6',7',8'-hexahydrospiro[1H-indole-3,8'-(4'H)-chromene]-1-yl)acetate, ethyl (2-amino-3-cyano-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indol]-1'(2'H)-yl)acetate
| Molecular Formula | C21H19N3O5 |
|---|---|
| Molecular Weight | 393.13 g/mol |
| LogP | 1.56528 |
| Topological Polar Surface Area | 122.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 393.13248 |
| Heavy Atoms | 29 |
| Complexity | 1048.6415 |
Chemical Identifiers
| CAS Number | 445222-95-7 |
|---|---|
| SMILES | CCOC(=O)CN1C2=CC=CC=C2C3(C1=O)C(=C(OC4=C3C(=O)CCC4)N)C#N |
Product Overview
ethyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate (CAS 445222-95-7), with molecular formula C21H19N3O5 and molecular weight 393.13 g/mol. IUPAC: ethyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate.
Chemical Property Profile of ethyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate
Property Insights of ethyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate
The XLogP value of 1.56528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate. The TPSA of 122.72 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate. Following Lipinski's Rule of Five, ethyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate 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
Frequently Asked Questions
What is the CAS number of ethyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate?
The CAS number of ethyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate is 445222-95-7.
What is the molecular formula of ethyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate?
The molecular formula of ethyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate is C21H19N3O5.
What is the molecular weight of ethyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate?
The molecular weight of ethyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate is 393.13 g/mol.
Where can I buy ethyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate?
You can request a quote for ethyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.