ChemDiv1_023254
TL;DR: ChemDiv1_023254 (CAS 309922-54-1) is a chemical compound with molecular formula C24H17FN4O3 and molecular weight 428.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluorophenyl)-3-(4-methylphenyl)-4-(3-nitrophenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Also Known As: ChemDiv1_023254, BIM-0013091.P001, 5-(4-fluorophenyl)-3-(4-methylphenyl)-4-(3-nitrophenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one, 5-(4-fluorophenyl)-3-(4-methylphenyl)-4-(3-nitrophenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one, A2270/0095677
| Molecular Formula | C24H17FN4O3 |
|---|---|
| Molecular Weight | 428.13 g/mol |
| LogP | 5.18222 |
| Topological Polar Surface Area | 92.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.12848 |
| Heavy Atoms | 32 |
| Complexity | 1346.6843 |
Chemical Identifiers
| CAS Number | 309922-54-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NNC3=C2C(N(C3=O)C4=CC=C(C=C4)F)C5=CC(=CC=C5)[N+](=O)[O-] |
Product Overview
ChemDiv1_023254 (CAS 309922-54-1), with molecular formula C24H17FN4O3 and molecular weight 428.13 g/mol. IUPAC: 5-(4-fluorophenyl)-3-(4-methylphenyl)-4-(3-nitrophenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
Chemical Property Profile of ChemDiv1_023254
Property Insights of ChemDiv1_023254
The XLogP value of 5.18222 indicates that ChemDiv1_023254 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.13 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_023254. Following Lipinski's Rule of Five, ChemDiv1_023254 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_023254?
The CAS number of ChemDiv1_023254 is 309922-54-1.
What is the molecular formula of ChemDiv1_023254?
The molecular formula of ChemDiv1_023254 is C24H17FN4O3.
What is the molecular weight of ChemDiv1_023254?
The molecular weight of ChemDiv1_023254 is 428.13 g/mol.
Where can I buy ChemDiv1_023254?
You can request a quote for ChemDiv1_023254 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023254?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023254 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.