ChemDiv1_026126
TL;DR: ChemDiv1_026126 (CAS 309922-58-5) is a chemical compound with molecular formula C27H24FN3O and molecular weight 425.19 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-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Also Known As: ChemDiv1_026126, A2270/0095681, 5-(4-fluorophenyl)-3-(4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one, 5-(4-FLUOROPHENYL)-3-(4-METHYLPHENYL)-4-[4-(PROPAN-2-YL)PHENYL]-1H,4H,5H,6H-PYRROLO[3,4-C]PYRAZOL-6-ONE, 5-(4-fluorophenyl)-3-(4-methylphenyl)-4-[4-(propan-2-yl)phenyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
| Molecular Formula | C27H24FN3O |
|---|---|
| Molecular Weight | 425.19 g/mol |
| LogP | 6.39742 |
| Topological Polar Surface Area | 48.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.19034 |
| Heavy Atoms | 32 |
| Complexity | 1272.2433 |
Chemical Identifiers
| CAS Number | 309922-58-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NNC3=C2C(N(C3=O)C4=CC=C(C=C4)F)C5=CC=C(C=C5)C(C)C |
Product Overview
ChemDiv1_026126 (CAS 309922-58-5), with molecular formula C27H24FN3O and molecular weight 425.19 g/mol. IUPAC: 5-(4-fluorophenyl)-3-(4-methylphenyl)-4-(4-propan-2-ylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.
Chemical Property Profile of ChemDiv1_026126
Property Insights of ChemDiv1_026126
The XLogP value of 6.39742 indicates that ChemDiv1_026126 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_026126 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_026126 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_026126?
The CAS number of ChemDiv1_026126 is 309922-58-5.
What is the molecular formula of ChemDiv1_026126?
The molecular formula of ChemDiv1_026126 is C27H24FN3O.
What is the molecular weight of ChemDiv1_026126?
The molecular weight of ChemDiv1_026126 is 425.19 g/mol.
Where can I buy ChemDiv1_026126?
You can request a quote for ChemDiv1_026126 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_026126?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_026126 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.