RefChem:1068974
TL;DR: RefChem:1068974 (CAS 119457-12-4) is a chemical compound with molecular formula C27H18ClN5O2 and molecular weight 479.1149 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-4-benzylidene-2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-5-methylpyrazol-3-one
Also Known As: 3H-Pyrazol-3-one, 2,4-dihydro-2-((2-chloro-6H-indolo(2,3-b)quinoxalin-6-yl)acetyl)-5-methyl-4-(phenylmethylene)-, 3H-Pyrazol-3-one, 2-((2-chloro-6H-indolo(2,3-b)quinoxalin-6-yl)acetyl)-2,4-dihydro-5-methyl-4-(phenylmethylene)-, (4E)-4-benzylidene-2-[2-(2-chloroindolo[2,3-b]quinoxalin-6-yl)acetyl]-5-methylpyrazol-3-one
Technical Specifications
| Molecular Formula | C27H18ClN5O2 |
| Molecular Weight | 479.1149 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 80.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 479.1149 Da |
| Heavy Atoms | 35 |
| Complexity | 915.0 |
| SMILES | CC\1=NN(C(=O)/C1=C/C2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4C5=NC6=C(C=CC(=C6)Cl)N=C53 |
| InChIKey | LYIGNDKLFAUVHI-DEDYPNTBSA-N |
Chemical Property Profile of RefChem:1068974
Property Insights of RefChem:1068974
The XLogP value of 5.2 indicates that RefChem:1068974 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1068974. Following Lipinski's Rule of Five, RefChem:1068974 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1068974?
The CAS number of RefChem:1068974 is 119457-12-4.
What is the molecular formula of RefChem:1068974?
The molecular formula of RefChem:1068974 is C27H18ClN5O2.
What is the molecular weight of RefChem:1068974?
The molecular weight of RefChem:1068974 is 479.1149 g/mol.
Where can I buy RefChem:1068974?
You can request a quote for RefChem:1068974 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1068974?
Yes, CoreyChem provides custom synthesis services for RefChem:1068974 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.