![methyl 6'-amino-1-(4-chlorobenzyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate structure](/static/products/861/861122-41-0.png)
methyl 6'-amino-1-(4-chlorobenzyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate
TL;DR: methyl 6'-amino-1-(4-chlorobenzyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate (CAS 861122-41-0) is a chemical compound with molecular formula C23H19ClN4O4 and molecular weight 450.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-amino-1'-[(4-chlorophenyl)methyl]-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate
Also Known As: methyl 6'-amino-1-(4-chlorobenzyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate, methyl 6'-amino-1-(4-chlorobenzyl)-3'-methyl-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate, methyl 6-amino-1'-[(4-chlorophenyl)methyl]-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate
| Molecular Formula | C23H19ClN4O4 |
|---|---|
| Molecular Weight | 450.11 g/mol |
| LogP | 2.94012 |
| Topological Polar Surface Area | 110.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.1095 |
| Heavy Atoms | 32 |
| Complexity | 1297.5802 |
Chemical Identifiers
| CAS Number | 861122-41-0 |
|---|---|
| SMILES | CC1=C2C(=NN1)OC(=C(C23C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)Cl)C(=O)OC)N |
Product Overview
methyl 6'-amino-1-(4-chlorobenzyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate (CAS 861122-41-0), with molecular formula C23H19ClN4O4 and molecular weight 450.11 g/mol. IUPAC: methyl 6-amino-1'-[(4-chlorophenyl)methyl]-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carboxylate.
Chemical Property Profile of methyl 6'-amino-1-(4-chlorobenzyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate
Property Insights of methyl 6'-amino-1-(4-chlorobenzyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate
The XLogP value of 2.94012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 6'-amino-1-(4-chlorobenzyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate. The TPSA of 110.54 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 6'-amino-1-(4-chlorobenzyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate. Following Lipinski's Rule of Five, methyl 6'-amino-1-(4-chlorobenzyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-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 methyl 6'-amino-1-(4-chlorobenzyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate?
The CAS number of methyl 6'-amino-1-(4-chlorobenzyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate is 861122-41-0.
What is the molecular formula of methyl 6'-amino-1-(4-chlorobenzyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate?
The molecular formula of methyl 6'-amino-1-(4-chlorobenzyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate is C23H19ClN4O4.
What is the molecular weight of methyl 6'-amino-1-(4-chlorobenzyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate?
The molecular weight of methyl 6'-amino-1-(4-chlorobenzyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate is 450.11 g/mol.
Where can I buy methyl 6'-amino-1-(4-chlorobenzyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate?
You can request a quote for methyl 6'-amino-1-(4-chlorobenzyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 6'-amino-1-(4-chlorobenzyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6'-amino-1-(4-chlorobenzyl)-3'-methyl-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazole]-5'-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.