RefChem:84194
TL;DR: RefChem:84194 (CAS 84696-86-6) is a chemical compound with molecular formula C43H45N5O5 and molecular weight 711.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-dodecylphenyl)-1,3-dioxo-2-[3-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]phenyl]isoindole-5-carboxamide
Also Known As: EINECS 283-693-4, 2-(3-(((4,5-Dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)amino)carbonyl)phenyl)-N-(4-dodecylphenyl)-2,3-dihydro-1,3-dioxo-1H-isoindole-5-carboxamide, Butanoic acid,2-methyl-,2-methyl-2-buten-1-yl ester, 2-[3-[[(4,5-DIHYDRO-5-OXO-1-PHENYL-1H-PYRAZOL-3-YL)AMINO]CARBONYL]PHENYL]-N-(4-DODECYLPHENYL)-2,3-DIHYDRO-1,3-DIOXO-1H-ISOINDOLE-5-CARBOXAMIDE, N-(4-dodecylphenyl)-1,3-dioxo-2-[3-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]phenyl]isoindole-5-carboxamide
| Molecular Formula | C43H45N5O5 |
|---|---|
| Molecular Weight | 711.34 g/mol |
| LogP | 8.6831 |
| Topological Polar Surface Area | 128.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 711.34204 |
| Heavy Atoms | 53 |
| Complexity | 2007.2251 |
Chemical Identifiers
| CAS Number | 84696-86-6 |
|---|---|
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=CC(=C4)C(=O)NC5=NN(C(=O)C5)C6=CC=CC=C6 |
Product Overview
RefChem:84194 (CAS 84696-86-6), with molecular formula C43H45N5O5 and molecular weight 711.34 g/mol. IUPAC: N-(4-dodecylphenyl)-1,3-dioxo-2-[3-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)carbamoyl]phenyl]isoindole-5-carboxamide.
Chemical Property Profile of RefChem:84194
Property Insights of RefChem:84194
The XLogP value of 8.6831 indicates that RefChem:84194 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 128.25 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:84194. Following Lipinski's Rule of Five, RefChem:84194 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:84194?
The CAS number of RefChem:84194 is 84696-86-6.
What is the molecular formula of RefChem:84194?
The molecular formula of RefChem:84194 is C43H45N5O5.
What is the molecular weight of RefChem:84194?
The molecular weight of RefChem:84194 is 711.34 g/mol.
Where can I buy RefChem:84194?
You can request a quote for RefChem:84194 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:84194?
Yes, KEHONG BIO provides custom synthesis services for RefChem:84194 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.