![methyl [6'-amino-1-(4-chlorobenzyl)-5'-cyano-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate structure](/static/products/674/674807-67-1.png)
methyl [6'-amino-1-(4-chlorobenzyl)-5'-cyano-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate
TL;DR: methyl [6'-amino-1-(4-chlorobenzyl)-5'-cyano-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate (CAS 674807-67-1) is a chemical compound with molecular formula C24H18ClN5O4 and molecular weight 475.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[6-amino-1'-[(4-chlorophenyl)methyl]-5-cyano-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-3-yl]acetate
Also Known As: methyl [6'-amino-1-(4-chlorobenzyl)-5'-cyano-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate, methyl 2-(6'-amino-1-(4-chlorobenzyl)-5'-cyano-2-oxo-1'H-spiro[indoline-3,4'-pyrano[2,3-c]pyrazol]-3'-yl)acetate, methyl 2-[6-amino-1'-[(4-chlorophenyl)methyl]-5-cyano-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-3-yl]acetate
| Molecular Formula | C24H18ClN5O4 |
|---|---|
| Molecular Weight | 475.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 475.10474 |
| Heavy Atoms | 34 |
| Complexity | 926.0 |
Chemical Identifiers
| CAS Number | 674807-67-1 |
|---|---|
| SMILES | COC(=O)CC1=C2C(=NN1)OC(=C(C23C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)Cl)C#N)N |
| InChIKey | RMXGRJAGXORPKK-UHFFFAOYSA-N |
Product Overview
methyl [6'-amino-1-(4-chlorobenzyl)-5'-cyano-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate (CAS 674807-67-1), with molecular formula C24H18ClN5O4 and molecular weight 475.10 g/mol. IUPAC: methyl 2-[6-amino-1'-[(4-chlorophenyl)methyl]-5-cyano-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-3-yl]acetate.
Chemical Property Profile of methyl [6'-amino-1-(4-chlorobenzyl)-5'-cyano-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate
Property Insights of methyl [6'-amino-1-(4-chlorobenzyl)-5'-cyano-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl [6'-amino-1-(4-chlorobenzyl)-5'-cyano-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl [6'-amino-1-(4-chlorobenzyl)-5'-cyano-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate. Following Lipinski's Rule of Five, methyl [6'-amino-1-(4-chlorobenzyl)-5'-cyano-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate has 2 hydrogen bond donor(s) and 7 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)-5'-cyano-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate?
The CAS number of methyl [6'-amino-1-(4-chlorobenzyl)-5'-cyano-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate is 674807-67-1.
What is the molecular formula of methyl [6'-amino-1-(4-chlorobenzyl)-5'-cyano-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate?
The molecular formula of methyl [6'-amino-1-(4-chlorobenzyl)-5'-cyano-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate is C24H18ClN5O4.
What is the molecular weight of methyl [6'-amino-1-(4-chlorobenzyl)-5'-cyano-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate?
The molecular weight of methyl [6'-amino-1-(4-chlorobenzyl)-5'-cyano-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate is 475.10 g/mol.
Where can I buy methyl [6'-amino-1-(4-chlorobenzyl)-5'-cyano-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate?
You can request a quote for methyl [6'-amino-1-(4-chlorobenzyl)-5'-cyano-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate 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)-5'-cyano-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl [6'-amino-1-(4-chlorobenzyl)-5'-cyano-2-oxo-1,2-dihydro-2'H-spiro[indole-3,4'-pyrano[2,3-c]pyrazol]-3'-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.