![6'-amino-3'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile structure](/static/products/862/862117-68-8.png)
6'-amino-3'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
TL;DR: 6'-amino-3'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile (CAS 862117-68-8) is a chemical compound with molecular formula C18H13N5O2 and molecular weight 331.11 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-ynylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
Also Known As: 6'-amino-3'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile, 6'-amino-3'-methyl-2-oxo-1-(prop-2-yn-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-ynylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
| Molecular Formula | C18H13N5O2 |
|---|---|
| Molecular Weight | 331.11 g/mol |
| LogP | 1.0703 |
| Topological Polar Surface Area | 108.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 331.10693 |
| Heavy Atoms | 25 |
| Complexity | 1036.4663 |
Chemical Identifiers
| CAS Number | 862117-68-8 |
|---|---|
| SMILES | CC1=C2C(=NN1)OC(=C(C23C4=CC=CC=C4N(C3=O)CC#C)C#N)N |
Product Overview
6'-amino-3'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile (CAS 862117-68-8), with molecular formula C18H13N5O2 and molecular weight 331.11 g/mol. IUPAC: 6-amino-3-methyl-2'-oxo-1'-prop-2-ynylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.
Chemical Property Profile of 6'-amino-3'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Property Insights of 6'-amino-3'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
The XLogP value of 1.0703 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6'-amino-3'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile. The TPSA of 108.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 6'-amino-3'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile. Following Lipinski's Rule of Five, 6'-amino-3'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile 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 6'-amino-3'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The CAS number of 6'-amino-3'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile is 862117-68-8.
What is the molecular formula of 6'-amino-3'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The molecular formula of 6'-amino-3'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile is C18H13N5O2.
What is the molecular weight of 6'-amino-3'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The molecular weight of 6'-amino-3'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile is 331.11 g/mol.
Where can I buy 6'-amino-3'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
You can request a quote for 6'-amino-3'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1'H-spiro[indoline-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-3'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6'-amino-3'-methyl-2-oxo-1-(prop-2-yn-1-yl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.