![methyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate structure](/static/products/4452/445222-69-5.webp)
methyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate
TL;DR: methyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate (CAS 445222-69-5) is a chemical compound with molecular formula C20H17N3O5 and molecular weight 379.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate
Also Known As: methyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate, methyl (2-amino-3-cyano-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indol]-1'(2'H)-yl)acetate, methyl (2'-amino-3'-cyano-2,5'-dioxo-2,3,5',6',7',8'-hexahydrospiro[1H-indole-3,8'-(4'H)-chromene]-1-yl)acetate, methyl 2-(2-amino-3-cyano-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indolin]-1'-yl)acetate, METHYL 2-{2-AMINO-3-CYANO-2',5-DIOXO-1',2',5,6,7,8-HEXAHYDROSPIRO[CHROMENE-4,3'-INDOL]-1'-YL}ACETATE
| Molecular Formula | C20H17N3O5 |
|---|---|
| Molecular Weight | 379.12 g/mol |
| LogP | 1.17518 |
| Topological Polar Surface Area | 122.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 379.11682 |
| Heavy Atoms | 28 |
| Complexity | 1032.5219 |
Chemical Identifiers
| CAS Number | 445222-69-5 |
|---|---|
| SMILES | COC(=O)CN1C2=CC=CC=C2C3(C1=O)C(=C(OC4=C3C(=O)CCC4)N)C#N |
Product Overview
methyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate (CAS 445222-69-5), with molecular formula C20H17N3O5 and molecular weight 379.12 g/mol. IUPAC: methyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate.
Chemical Property Profile of methyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate
Property Insights of methyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate
The XLogP value of 1.17518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 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 methyl 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, methyl 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 methyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate?
The CAS number of methyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate is 445222-69-5.
What is the molecular formula of methyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate?
The molecular formula of methyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate is C20H17N3O5.
What is the molecular weight of methyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate?
The molecular weight of methyl 2-(2-amino-3-cyano-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-1'-yl)acetate is 379.12 g/mol.
Where can I buy methyl 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 methyl 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 methyl 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 methyl 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.