ChemDiv1_023516
TL;DR: ChemDiv1_023516 (CAS 441313-95-7) is a chemical compound with molecular formula C24H17F2N3O and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-bis(4-fluorophenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Also Known As: ChemDiv1_023516, BAS 13119957, 4,5-bis(4-fluorophenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one, 4,5-bis(4-fluorophenyl)-3-(4-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one, 4,5-bis(4-fluorophenyl)-3-(p-tolyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
| Molecular Formula | C24H17F2N3O |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 5.41312 |
| Topological Polar Surface Area | 48.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.13397 |
| Heavy Atoms | 30 |
| Complexity | 1229.1985 |
Chemical Identifiers
| CAS Number | 441313-95-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NNC3=C2C(N(C3=O)C4=CC=C(C=C4)F)C5=CC=C(C=C5)F |
Product Overview
ChemDiv1_023516 (CAS 441313-95-7), with molecular formula C24H17F2N3O and molecular weight 401.13 g/mol. IUPAC: 4,5-bis(4-fluorophenyl)-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
Chemical Property Profile of ChemDiv1_023516
Property Insights of ChemDiv1_023516
The XLogP value of 5.41312 indicates that ChemDiv1_023516 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.99 Ų, ChemDiv1_023516 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_023516 has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_023516?
The CAS number of ChemDiv1_023516 is 441313-95-7.
What is the molecular formula of ChemDiv1_023516?
The molecular formula of ChemDiv1_023516 is C24H17F2N3O.
What is the molecular weight of ChemDiv1_023516?
The molecular weight of ChemDiv1_023516 is 401.13 g/mol.
Where can I buy ChemDiv1_023516?
You can request a quote for ChemDiv1_023516 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_023516?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_023516 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.