![benzyl 2'-amino-5'-cyano-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate structure](/static/products/3545/354542-80-6.webp)
benzyl 2'-amino-5'-cyano-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
TL;DR: benzyl 2'-amino-5'-cyano-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate (CAS 354542-80-6) is a chemical compound with molecular formula C22H17N3O4 and molecular weight 387.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2'-amino-5'-cyano-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
Also Known As: benzyl 2'-amino-5'-cyano-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate, benzyl 2'-amino-5'-cyano-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate, benzyl 2'-amino-5'-cyano-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3'-carboxylate, 2-amino-3-[(benzyloxy)carbonyl]-5-cyano-1',3'-dihydro-6-methyl-2'-oxospiro[4H-pyran-4,3'-(2'H)-indole], benzyl 6'-amino-3'-cyano-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-5'-carboxylate
| Molecular Formula | C22H17N3O4 |
|---|---|
| Molecular Weight | 387.12 g/mol |
| LogP | 2.61798 |
| Topological Polar Surface Area | 114.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.12192 |
| Heavy Atoms | 29 |
| Complexity | 1128.2465 |
Chemical Identifiers
| CAS Number | 354542-80-6 |
|---|---|
| SMILES | CC1=C(C2(C3=CC=CC=C3NC2=O)C(=C(O1)N)C(=O)OCC4=CC=CC=C4)C#N |
Product Overview
benzyl 2'-amino-5'-cyano-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate (CAS 354542-80-6), with molecular formula C22H17N3O4 and molecular weight 387.12 g/mol. IUPAC: benzyl 2'-amino-5'-cyano-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of benzyl 2'-amino-5'-cyano-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
Property Insights of benzyl 2'-amino-5'-cyano-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
The XLogP value of 2.61798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl 2'-amino-5'-cyano-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate. The TPSA of 114.44 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 2'-amino-5'-cyano-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate. Following Lipinski's Rule of Five, benzyl 2'-amino-5'-cyano-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate has 2 hydrogen bond donor(s) and 6 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'-amino-5'-cyano-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
The CAS number of benzyl 2'-amino-5'-cyano-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate is 354542-80-6.
What is the molecular formula of benzyl 2'-amino-5'-cyano-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
The molecular formula of benzyl 2'-amino-5'-cyano-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate is C22H17N3O4.
What is the molecular weight of benzyl 2'-amino-5'-cyano-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
The molecular weight of benzyl 2'-amino-5'-cyano-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate is 387.12 g/mol.
Where can I buy benzyl 2'-amino-5'-cyano-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
You can request a quote for benzyl 2'-amino-5'-cyano-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzyl 2'-amino-5'-cyano-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 2'-amino-5'-cyano-6'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.