![4-[4-(benzyloxy)-3-ethoxyphenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one structure](/static/products/879/879965-15-8.png)
4-[4-(benzyloxy)-3-ethoxyphenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
TL;DR: 4-[4-(benzyloxy)-3-ethoxyphenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one (CAS 879965-15-8) is a chemical compound with molecular formula C30H31N3O5 and molecular weight 513.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-ethoxy-4-phenylmethoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Also Known As: 4-[4-(benzyloxy)-3-ethoxyphenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one, (3Z)-3-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(3-ethoxy-4-phenylmethoxyphenyl)-5-(2-hydroxyethyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one, 3-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(3-ethoxy-4-phenylmethoxyphenyl)-5-(2-hydroxyethyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one, 4-(4-(benzyloxy)-3-ethoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
| Molecular Formula | C30H31N3O5 |
|---|---|
| Molecular Weight | 513.23 g/mol |
| LogP | 4.91434 |
| Topological Polar Surface Area | 107.91 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 513.2264 |
| Heavy Atoms | 38 |
| Complexity | 1464.4973 |
Chemical Identifiers
| CAS Number | 879965-15-8 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C3=C(C(=O)N2CCO)NN=C3C4=CC(=CC(=C4O)C)C)OCC5=CC=CC=C5 |
Product Overview
4-[4-(benzyloxy)-3-ethoxyphenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one (CAS 879965-15-8), with molecular formula C30H31N3O5 and molecular weight 513.23 g/mol. IUPAC: 4-(3-ethoxy-4-phenylmethoxyphenyl)-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
Chemical Property Profile of 4-[4-(benzyloxy)-3-ethoxyphenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
Property Insights of 4-[4-(benzyloxy)-3-ethoxyphenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
The XLogP value of 4.91434 indicates that 4-[4-(benzyloxy)-3-ethoxyphenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(benzyloxy)-3-ethoxyphenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one. Following Lipinski's Rule of Five, 4-[4-(benzyloxy)-3-ethoxyphenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[4-(benzyloxy)-3-ethoxyphenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one?
The CAS number of 4-[4-(benzyloxy)-3-ethoxyphenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one is 879965-15-8.
What is the molecular formula of 4-[4-(benzyloxy)-3-ethoxyphenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one?
The molecular formula of 4-[4-(benzyloxy)-3-ethoxyphenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one is C30H31N3O5.
What is the molecular weight of 4-[4-(benzyloxy)-3-ethoxyphenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one?
The molecular weight of 4-[4-(benzyloxy)-3-ethoxyphenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one is 513.23 g/mol.
Where can I buy 4-[4-(benzyloxy)-3-ethoxyphenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one?
You can request a quote for 4-[4-(benzyloxy)-3-ethoxyphenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(benzyloxy)-3-ethoxyphenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(benzyloxy)-3-ethoxyphenyl]-3-(2-hydroxy-3,5-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.