![tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate structure](/static/products/3534/353469-12-2.webp)
tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
TL;DR: tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate (CAS 353469-12-2) is a chemical compound with molecular formula C19H18FN3O4 and molecular weight 371.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
Also Known As: tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate, tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate, 6-amino-6'-fluoro-5-cyano-1',3'-dihydro-3-(tert-butoxycarbonyl)-2-methyl-2'-oxospiro[4H-pyran-4,3'-(2'H)-indole], tert-butyl 2'-amino-3'-cyano-6-fluoro-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate
| Molecular Formula | C19H18FN3O4 |
|---|---|
| Molecular Weight | 371.13 g/mol |
| LogP | 2.35538 |
| Topological Polar Surface Area | 114.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 371.12814 |
| Heavy Atoms | 27 |
| Complexity | 981.6494 |
Chemical Identifiers
| CAS Number | 353469-12-2 |
|---|---|
| SMILES | CC1=C(C2(C3=C(C=C(C=C3)F)NC2=O)C(=C(O1)N)C#N)C(=O)OC(C)(C)C |
Product Overview
tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate (CAS 353469-12-2), with molecular formula C19H18FN3O4 and molecular weight 371.13 g/mol. IUPAC: tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate.
Chemical Property Profile of tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
Property Insights of tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate
The XLogP value of 2.35538 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-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 tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate. Following Lipinski's Rule of Five, tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-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 tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
The CAS number of tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate is 353469-12-2.
What is the molecular formula of tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
The molecular formula of tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate is C19H18FN3O4.
What is the molecular weight of tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
The molecular weight of tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate is 371.13 g/mol.
Where can I buy tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
You can request a quote for tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-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 tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-methyl-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3'-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 6'-amino-5'-cyano-6-fluoro-2'-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.