ChemDiv2_004213
TL;DR: ChemDiv2_004213 (CAS 440096-83-3) is a chemical compound with molecular formula C24H18FN3O3 and molecular weight 415.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Also Known As: ChemDiv2_004213, IDI1_002928, 3-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-phenyl-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one, 3-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one, 3-(4-FLUOROPHENYL)-4-(4-HYDROXY-3-METHOXYPHENYL)-5-PHENYL-1H,4H,5H,6H-PYRROLO[3,4-C]PYRAZOL-6-ONE
| Molecular Formula | C24H18FN3O3 |
|---|---|
| Molecular Weight | 415.13 g/mol |
| LogP | 4.6798 |
| Topological Polar Surface Area | 78.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.1332 |
| Heavy Atoms | 31 |
| Complexity | 1269.2365 |
Chemical Identifiers
| CAS Number | 440096-83-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C3=C(C(=O)N2C4=CC=CC=C4)NN=C3C5=CC=C(C=C5)F)O |
Product Overview
ChemDiv2_004213 (CAS 440096-83-3), with molecular formula C24H18FN3O3 and molecular weight 415.13 g/mol. IUPAC: 3-(4-fluorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-5-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
Chemical Property Profile of ChemDiv2_004213
Property Insights of ChemDiv2_004213
The XLogP value of 4.6798 indicates that ChemDiv2_004213 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004213. Following Lipinski's Rule of Five, ChemDiv2_004213 has 2 hydrogen bond donor(s) and 4 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 ChemDiv2_004213?
The CAS number of ChemDiv2_004213 is 440096-83-3.
What is the molecular formula of ChemDiv2_004213?
The molecular formula of ChemDiv2_004213 is C24H18FN3O3.
What is the molecular weight of ChemDiv2_004213?
The molecular weight of ChemDiv2_004213 is 415.13 g/mol.
Where can I buy ChemDiv2_004213?
You can request a quote for ChemDiv2_004213 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004213?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004213 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.