ChemDiv1_027852
TL;DR: ChemDiv1_027852 (CAS 442870-02-2) is a chemical compound with molecular formula C26H22FN3O3 and molecular weight 443.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Also Known As: ChemDiv1_027852, A2561/0109130, 4-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one, 4-(2,4-DIMETHOXYPHENYL)-5-(4-FLUOROPHENYL)-3-(4-METHYLPHENYL)-1H,4H,5H,6H-PYRROLO[3,4-C]PYRAZOL-6-ONE, 4-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3-(4-methylphenyl)-3-pyrrolino[3,4- d]pyrazol-6-one
| Molecular Formula | C26H22FN3O3 |
|---|---|
| Molecular Weight | 443.16 g/mol |
| LogP | 5.29122 |
| Topological Polar Surface Area | 67.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 443.16452 |
| Heavy Atoms | 33 |
| Complexity | 1330.1567 |
Chemical Identifiers
| CAS Number | 442870-02-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NNC3=C2C(N(C3=O)C4=CC=C(C=C4)F)C5=C(C=C(C=C5)OC)OC |
Product Overview
ChemDiv1_027852 (CAS 442870-02-2), with molecular formula C26H22FN3O3 and molecular weight 443.16 g/mol. IUPAC: 4-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
Chemical Property Profile of ChemDiv1_027852
Property Insights of ChemDiv1_027852
The XLogP value of 5.29122 indicates that ChemDiv1_027852 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_027852. Following Lipinski's Rule of Five, ChemDiv1_027852 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_027852?
The CAS number of ChemDiv1_027852 is 442870-02-2.
What is the molecular formula of ChemDiv1_027852?
The molecular formula of ChemDiv1_027852 is C26H22FN3O3.
What is the molecular weight of ChemDiv1_027852?
The molecular weight of ChemDiv1_027852 is 443.16 g/mol.
Where can I buy ChemDiv1_027852?
You can request a quote for ChemDiv1_027852 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_027852?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_027852 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.