ChemDiv1_003279
TL;DR: ChemDiv1_003279 (CAS 312596-59-1) is a chemical compound with molecular formula C25H20BrN3O3 and molecular weight 489.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[5-(4-bromophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methyl]indole-2,3-dione
Also Known As: ChemDiv1_003279, BAS 01416493, 1-((3-(4-bromophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)methyl)indoline-2,3-dione, AB00152400-02, 1-{[3-(4-bromophenyl)-5-(2-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]methyl}-2,3-dihydro-1H-indole-2,3-dione
| Molecular Formula | C25H20BrN3O3 |
|---|---|
| Molecular Weight | 489.07 g/mol |
| LogP | 4.7958 |
| Topological Polar Surface Area | 62.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.0688 |
| Heavy Atoms | 32 |
| Complexity | 1239.1893 |
Chemical Identifiers
| CAS Number | 312596-59-1 |
|---|---|
| SMILES | COC1=CC=CC=C1C2CC(=NN2CN3C4=CC=CC=C4C(=O)C3=O)C5=CC=C(C=C5)Br |
Product Overview
ChemDiv1_003279 (CAS 312596-59-1), with molecular formula C25H20BrN3O3 and molecular weight 489.07 g/mol. IUPAC: 1-[[5-(4-bromophenyl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methyl]indole-2,3-dione.
Chemical Property Profile of ChemDiv1_003279
Property Insights of ChemDiv1_003279
The XLogP value of 4.7958 indicates that ChemDiv1_003279 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003279. Following Lipinski's Rule of Five, ChemDiv1_003279 has 0 hydrogen bond donor(s) and 5 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 ChemDiv1_003279?
The CAS number of ChemDiv1_003279 is 312596-59-1.
What is the molecular formula of ChemDiv1_003279?
The molecular formula of ChemDiv1_003279 is C25H20BrN3O3.
What is the molecular weight of ChemDiv1_003279?
The molecular weight of ChemDiv1_003279 is 489.07 g/mol.
Where can I buy ChemDiv1_003279?
You can request a quote for ChemDiv1_003279 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003279?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003279 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.