![ethyl 4-(4-(3,4-dimethoxyphenyl)-3-methyl-6-oxopyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate structure](/static/products/578/578719-09-2.png)
ethyl 4-(4-(3,4-dimethoxyphenyl)-3-methyl-6-oxopyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate
TL;DR: ethyl 4-(4-(3,4-dimethoxyphenyl)-3-methyl-6-oxopyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate (CAS 578719-09-2) is a chemical compound with molecular formula C23H23N3O5 and molecular weight 421.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-(3,4-dimethoxyphenyl)-3-methyl-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate
Also Known As: ethyl 4-(4-(3,4-dimethoxyphenyl)-3-methyl-6-oxopyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate, ETHYL 4-[4-(3,4-DIMETHOXYPHENYL)-3-METHYL-6-OXO-1H,4H,5H,6H-PYRROLO[3,4-C]PYRAZOL-5-YL]BENZOATE, ethyl 4-[4-(3,4-dimethoxyphenyl)-3-methyl-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate, ethyl 4-[4-(3,4-dimethoxyphenyl)-3-methyl-6-oxo-2,6-dihydropyrrolo[3,4-c]pyrazol-5(4H)-yl]benzoate
| Molecular Formula | C23H23N3O5 |
|---|---|
| Molecular Weight | 421.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 421.16376 |
| Heavy Atoms | 31 |
| Complexity | 653.0 |
Chemical Identifiers
| CAS Number | 578719-09-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(C3=C(NN=C3C2=O)C)C4=CC(=C(C=C4)OC)OC |
| InChIKey | PHPWDBPNYJMORL-UHFFFAOYSA-N |
Product Overview
ethyl 4-(4-(3,4-dimethoxyphenyl)-3-methyl-6-oxopyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate (CAS 578719-09-2), with molecular formula C23H23N3O5 and molecular weight 421.16 g/mol. IUPAC: ethyl 4-[4-(3,4-dimethoxyphenyl)-3-methyl-6-oxo-2,4-dihydropyrrolo[3,4-c]pyrazol-5-yl]benzoate.
Chemical Property Profile of ethyl 4-(4-(3,4-dimethoxyphenyl)-3-methyl-6-oxopyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate
Property Insights of ethyl 4-(4-(3,4-dimethoxyphenyl)-3-methyl-6-oxopyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate
The XLogP value of 3.4 indicates that ethyl 4-(4-(3,4-dimethoxyphenyl)-3-methyl-6-oxopyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(4-(3,4-dimethoxyphenyl)-3-methyl-6-oxopyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-(4-(3,4-dimethoxyphenyl)-3-methyl-6-oxopyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate has 1 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 ethyl 4-(4-(3,4-dimethoxyphenyl)-3-methyl-6-oxopyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate?
The CAS number of ethyl 4-(4-(3,4-dimethoxyphenyl)-3-methyl-6-oxopyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate is 578719-09-2.
What is the molecular formula of ethyl 4-(4-(3,4-dimethoxyphenyl)-3-methyl-6-oxopyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate?
The molecular formula of ethyl 4-(4-(3,4-dimethoxyphenyl)-3-methyl-6-oxopyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate is C23H23N3O5.
What is the molecular weight of ethyl 4-(4-(3,4-dimethoxyphenyl)-3-methyl-6-oxopyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate?
The molecular weight of ethyl 4-(4-(3,4-dimethoxyphenyl)-3-methyl-6-oxopyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate is 421.16 g/mol.
Where can I buy ethyl 4-(4-(3,4-dimethoxyphenyl)-3-methyl-6-oxopyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate?
You can request a quote for ethyl 4-(4-(3,4-dimethoxyphenyl)-3-methyl-6-oxopyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(4-(3,4-dimethoxyphenyl)-3-methyl-6-oxopyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(4-(3,4-dimethoxyphenyl)-3-methyl-6-oxopyrrolo[3,4-c]pyrazol-5(1H,4H,6H)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.