![6'-amino-1-(3-fluorobenzyl)-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile structure](/static/products/861/861639-06-7.png)
6'-amino-1-(3-fluorobenzyl)-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
TL;DR: 6'-amino-1-(3-fluorobenzyl)-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile (CAS 861639-06-7) is a chemical compound with molecular formula C28H20FN5O2 and molecular weight 477.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6'-amino-1-[(3-fluorophenyl)methyl]-3'-methyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
Also Known As: 6'-amino-1-(3-fluorobenzyl)-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile, 6'-amino-1-(3-fluorobenzyl)-3'-methyl-2-oxo-1'-phenyl-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile, 6'-amino-1-[(3-fluorophenyl)methyl]-3'-methyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile, 6-amino-10-[(3-fluorophenyl)methyl]-3-methyl-11-oxo-1-phenylspiro[4H-pyrano[3, 2-d]pyrazole-4,3'-indoline]-5-carbonitrile
| Molecular Formula | C28H20FN5O2 |
|---|---|
| Molecular Weight | 477.16 g/mol |
| LogP | 4.239 |
| Topological Polar Surface Area | 97.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 477.1601 |
| Heavy Atoms | 36 |
| Complexity | 1618.6467 |
Chemical Identifiers
| CAS Number | 861639-06-7 |
|---|---|
| SMILES | CC1=NN(C2=C1C3(C4=CC=CC=C4N(C3=O)CC5=CC(=CC=C5)F)C(=C(O2)N)C#N)C6=CC=CC=C6 |
Product Overview
6'-amino-1-(3-fluorobenzyl)-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile (CAS 861639-06-7), with molecular formula C28H20FN5O2 and molecular weight 477.16 g/mol. IUPAC: 6'-amino-1-[(3-fluorophenyl)methyl]-3'-methyl-2-oxo-1'-phenylspiro[indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile.
Chemical Property Profile of 6'-amino-1-(3-fluorobenzyl)-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Property Insights of 6'-amino-1-(3-fluorobenzyl)-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
The XLogP value of 4.239 indicates that 6'-amino-1-(3-fluorobenzyl)-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 6'-amino-1-(3-fluorobenzyl)-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile. Following Lipinski's Rule of Five, 6'-amino-1-(3-fluorobenzyl)-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile has 1 hydrogen bond donor(s) and 5 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 6'-amino-1-(3-fluorobenzyl)-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The CAS number of 6'-amino-1-(3-fluorobenzyl)-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile is 861639-06-7.
What is the molecular formula of 6'-amino-1-(3-fluorobenzyl)-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The molecular formula of 6'-amino-1-(3-fluorobenzyl)-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile is C28H20FN5O2.
What is the molecular weight of 6'-amino-1-(3-fluorobenzyl)-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The molecular weight of 6'-amino-1-(3-fluorobenzyl)-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile is 477.16 g/mol.
Where can I buy 6'-amino-1-(3-fluorobenzyl)-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
You can request a quote for 6'-amino-1-(3-fluorobenzyl)-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6'-amino-1-(3-fluorobenzyl)-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6'-amino-1-(3-fluorobenzyl)-3'-methyl-2-oxo-1'-phenyl-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.