![(3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one structure](/static/products/879/879961-01-0.png)
(3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
TL;DR: (3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one (CAS 879961-01-0) is a chemical compound with molecular formula C25H27N3O6 and molecular weight 465.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxyphenyl)-5-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Also Known As: (3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one, 3-(2-hydroxyphenyl)-5-((tetrahydrofuran-2-yl)methyl)-4-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one, 3-(2-hydroxyphenyl)-5-(tetrahydrofuran-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one, 3-(2-hydroxyphenyl)-5-(tetrahydrofuran-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one, 3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-4-(3,4,5-trimethoxyphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
| Molecular Formula | C25H27N3O6 |
|---|---|
| Molecular Weight | 465.19 g/mol |
| LogP | 3.5323 |
| Topological Polar Surface Area | 106.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.18997 |
| Heavy Atoms | 34 |
| Complexity | 1192.1052 |
Chemical Identifiers
| CAS Number | 879961-01-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C3=C(C(=O)N2CC4CCCO4)NN=C3C5=CC=CC=C5O |
Product Overview
(3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one (CAS 879961-01-0), with molecular formula C25H27N3O6 and molecular weight 465.19 g/mol. IUPAC: 3-(2-hydroxyphenyl)-5-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
Chemical Property Profile of (3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
Property Insights of (3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one
The XLogP value of 3.5323 indicates that (3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-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 106.14 Ų falls within the moderate polarity range, balancing permeability and solubility for (3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one. Following Lipinski's Rule of Five, (3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one 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 (3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one?
The CAS number of (3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one is 879961-01-0.
What is the molecular formula of (3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one?
The molecular formula of (3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one is C25H27N3O6.
What is the molecular weight of (3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one?
The molecular weight of (3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one is 465.19 g/mol.
Where can I buy (3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one?
You can request a quote for (3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-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)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-3-(6-oxocyclohexa-2,4-dien-1-ylidene)-5-(oxolan-2-ylmethyl)-4-(3,4,5-trimethoxyphenyl)-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.