![(3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one structure](/static/products/879/879935-17-8.png)
(3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
TL;DR: (3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one (CAS 879935-17-8) is a chemical compound with molecular formula C27H25N3O4 and molecular weight 455.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-4-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Also Known As: (3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one, 5-(3,4-dimethoxyphenethyl)-3-(2-hydroxyphenyl)-4-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one, 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-4-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one, 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-4-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one, 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
| Molecular Formula | C27H25N3O4 |
|---|---|
| Molecular Weight | 455.18 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 455.1845 |
| Heavy Atoms | 34 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 879935-17-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(C3=C(C2=O)NN=C3C4=CC=CC=C4O)C5=CC=CC=C5)OC |
| InChIKey | YBNWPCLPVYNQSD-UHFFFAOYSA-N |
Product Overview
(3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one (CAS 879935-17-8), with molecular formula C27H25N3O4 and molecular weight 455.18 g/mol. IUPAC: 5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)-4-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
Chemical Property Profile of (3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
Property Insights of (3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
The XLogP value of 4.5 indicates that (3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one. Following Lipinski's Rule of Five, (3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one 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 (3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one?
The CAS number of (3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one is 879935-17-8.
What is the molecular formula of (3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one?
The molecular formula of (3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one is C27H25N3O4.
What is the molecular weight of (3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one?
The molecular weight of (3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one is 455.18 g/mol.
Where can I buy (3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one?
You can request a quote for (3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-5-[2-(3,4-dimethoxyphenyl)ethyl]-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-4-phenyl-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.