![1'-allyl-6-amino-5-cyano-3-methyl-2'-oxo-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole) structure](/static/products/4452/445222-49-1.webp)
1'-allyl-6-amino-5-cyano-3-methyl-2'-oxo-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole)
TL;DR: 1'-allyl-6-amino-5-cyano-3-methyl-2'-oxo-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole) (CAS 445222-49-1) is a chemical compound with molecular formula C18H15N5O2 and molecular weight 333.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-3-methyl-2'-oxo-1'-prop-2-enylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
Also Known As: 1'-allyl-6-amino-5-cyano-3-methyl-2'-oxo-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole), 6'-amino-3'-methyl-2-oxo-1-(prop-2-en-1-yl)-1,2-dihydro-1'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile, 6-amino-3-methyl-2'-oxo-1'-prop-2-enylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile, 1-allyl-6'-amino-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
| Molecular Formula | C18H15N5O2 |
|---|---|
| Molecular Weight | 333.12 g/mol |
| LogP | 1.6231 |
| Topological Polar Surface Area | 108.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.1226 |
| Heavy Atoms | 25 |
| Complexity | 997.1356 |
Chemical Identifiers
| CAS Number | 445222-49-1 |
|---|---|
| SMILES | CC1=C2C(=NN1)OC(=C(C23C4=CC=CC=C4N(C3=O)CC=C)C#N)N |
Product Overview
1'-allyl-6-amino-5-cyano-3-methyl-2'-oxo-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole) (CAS 445222-49-1), with molecular formula C18H15N5O2 and molecular weight 333.12 g/mol. IUPAC: 6-amino-3-methyl-2'-oxo-1'-prop-2-enylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.
Chemical Property Profile of 1'-allyl-6-amino-5-cyano-3-methyl-2'-oxo-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole)
Property Insights of 1'-allyl-6-amino-5-cyano-3-methyl-2'-oxo-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole)
The XLogP value of 1.6231 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1'-allyl-6-amino-5-cyano-3-methyl-2'-oxo-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole). The TPSA of 108.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1'-allyl-6-amino-5-cyano-3-methyl-2'-oxo-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole). Following Lipinski's Rule of Five, 1'-allyl-6-amino-5-cyano-3-methyl-2'-oxo-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole) has 2 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 1'-allyl-6-amino-5-cyano-3-methyl-2'-oxo-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole)?
The CAS number of 1'-allyl-6-amino-5-cyano-3-methyl-2'-oxo-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole) is 445222-49-1.
What is the molecular formula of 1'-allyl-6-amino-5-cyano-3-methyl-2'-oxo-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole)?
The molecular formula of 1'-allyl-6-amino-5-cyano-3-methyl-2'-oxo-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole) is C18H15N5O2.
What is the molecular weight of 1'-allyl-6-amino-5-cyano-3-methyl-2'-oxo-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole)?
The molecular weight of 1'-allyl-6-amino-5-cyano-3-methyl-2'-oxo-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole) is 333.12 g/mol.
Where can I buy 1'-allyl-6-amino-5-cyano-3-methyl-2'-oxo-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole)?
You can request a quote for 1'-allyl-6-amino-5-cyano-3-methyl-2'-oxo-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1'-allyl-6-amino-5-cyano-3-methyl-2'-oxo-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole)?
Yes, KEHONG BIO provides custom synthesis services for 1'-allyl-6-amino-5-cyano-3-methyl-2'-oxo-1,1',3',4-tetrahydrospiro(pyrano[2,3-c]pyrazole-4,3'-[2'H]-indole) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.