![6'-amino-1-(4-chlorobenzyl)-2-oxo-3'-((p-tolylthio)methyl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile structure](/static/products/847/847047-19-2.png)
6'-amino-1-(4-chlorobenzyl)-2-oxo-3'-((p-tolylthio)methyl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
TL;DR: 6'-amino-1-(4-chlorobenzyl)-2-oxo-3'-((p-tolylthio)methyl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile (CAS 847047-19-2) is a chemical compound with molecular formula C29H22ClN5O2S and molecular weight 539.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-1'-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)sulfanylmethyl]-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
Also Known As: 6'-amino-1-(4-chlorobenzyl)-2-oxo-3'-((p-tolylthio)methyl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile, 6'-amino-1-(4-chlorobenzyl)-3'-{[(4-methylphenyl)sulfanyl]methyl}-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile, 6-amino-1'-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)sulfanylmethyl]-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
| Molecular Formula | C29H22ClN5O2S |
|---|---|
| Molecular Weight | 539.12 g/mol |
| LogP | 5.583 |
| Topological Polar Surface Area | 108.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 539.1183 |
| Heavy Atoms | 38 |
| Complexity | 1638.9366 |
Chemical Identifiers
| CAS Number | 847047-19-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=C3C(=NN2)OC(=C(C34C5=CC=CC=C5N(C4=O)CC6=CC=C(C=C6)Cl)C#N)N |
Product Overview
6'-amino-1-(4-chlorobenzyl)-2-oxo-3'-((p-tolylthio)methyl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile (CAS 847047-19-2), with molecular formula C29H22ClN5O2S and molecular weight 539.12 g/mol. IUPAC: 6-amino-1'-[(4-chlorophenyl)methyl]-3-[(4-methylphenyl)sulfanylmethyl]-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.
Chemical Property Profile of 6'-amino-1-(4-chlorobenzyl)-2-oxo-3'-((p-tolylthio)methyl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
Property Insights of 6'-amino-1-(4-chlorobenzyl)-2-oxo-3'-((p-tolylthio)methyl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile
The XLogP value of 5.583 indicates that 6'-amino-1-(4-chlorobenzyl)-2-oxo-3'-((p-tolylthio)methyl)-1'H-spiro[indoline-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 108.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 6'-amino-1-(4-chlorobenzyl)-2-oxo-3'-((p-tolylthio)methyl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile. Following Lipinski's Rule of Five, 6'-amino-1-(4-chlorobenzyl)-2-oxo-3'-((p-tolylthio)methyl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6'-amino-1-(4-chlorobenzyl)-2-oxo-3'-((p-tolylthio)methyl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The CAS number of 6'-amino-1-(4-chlorobenzyl)-2-oxo-3'-((p-tolylthio)methyl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile is 847047-19-2.
What is the molecular formula of 6'-amino-1-(4-chlorobenzyl)-2-oxo-3'-((p-tolylthio)methyl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The molecular formula of 6'-amino-1-(4-chlorobenzyl)-2-oxo-3'-((p-tolylthio)methyl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile is C29H22ClN5O2S.
What is the molecular weight of 6'-amino-1-(4-chlorobenzyl)-2-oxo-3'-((p-tolylthio)methyl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
The molecular weight of 6'-amino-1-(4-chlorobenzyl)-2-oxo-3'-((p-tolylthio)methyl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile is 539.12 g/mol.
Where can I buy 6'-amino-1-(4-chlorobenzyl)-2-oxo-3'-((p-tolylthio)methyl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
You can request a quote for 6'-amino-1-(4-chlorobenzyl)-2-oxo-3'-((p-tolylthio)methyl)-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-1-(4-chlorobenzyl)-2-oxo-3'-((p-tolylthio)methyl)-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6'-amino-1-(4-chlorobenzyl)-2-oxo-3'-((p-tolylthio)methyl)-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.