![benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl)acetate structure](/static/products/4452/445223-02-9.webp)
benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl)acetate
TL;DR: benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl)acetate (CAS 445223-02-9) is a chemical compound with molecular formula C28H25N3O5 and molecular weight 483.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl)acetate
Also Known As: benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl)acetate, benzyl (2-amino-3-cyano-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indol]-1'(2'H)-yl)acetate, benzyl (2'-amino-3'-cyano-2-oxo-7',7'-dimethyl-2,3,5',6',7',8'-hexahydro-5'-oxospiro[1H-indole-3,4'-(4'H)-chromene]-1-yl)acetate, benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxo-5,6,7,8-tetrahydrospiro[chromene-4,3'-indolin]-1'-yl)acetate, BENZYL 2-{2-AMINO-3-CYANO-7,7-DIMETHYL-2',5-DIOXO-1',2',5,6,7,8-HEXAHYDROSPIRO[CHROMENE-4,3'-INDOL]-1'-YL}ACETATE
| Molecular Formula | C28H25N3O5 |
|---|---|
| Molecular Weight | 483.18 g/mol |
| LogP | 3.38168 |
| Topological Polar Surface Area | 122.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 483.1794 |
| Heavy Atoms | 36 |
| Complexity | 1399.7635 |
Chemical Identifiers
| CAS Number | 445223-02-9 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C3(C4=CC=CC=C4N(C3=O)CC(=O)OCC5=CC=CC=C5)C(=C(O2)N)C#N)C |
Product Overview
benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl)acetate (CAS 445223-02-9), with molecular formula C28H25N3O5 and molecular weight 483.18 g/mol. IUPAC: benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl)acetate.
Chemical Property Profile of benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl)acetate
Property Insights of benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl)acetate
The XLogP value of 3.38168 indicates that benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.72 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl)acetate. Following Lipinski's Rule of Five, benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-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 benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl)acetate?
The CAS number of benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl)acetate is 445223-02-9.
What is the molecular formula of benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl)acetate?
The molecular formula of benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl)acetate is C28H25N3O5.
What is the molecular weight of benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl)acetate?
The molecular weight of benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl)acetate is 483.18 g/mol.
Where can I buy benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl)acetate?
You can request a quote for benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-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 benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 2-(2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.