TNFalpha-IN-C87
TL;DR: TNFalpha-IN-C87 (CAS 1609281-56-2) is a chemical compound with molecular formula C24H15ClN6O3S and molecular weight 502.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chloro-3-nitrophenyl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
Also Known As: TNFalpha-IN-C87, C 87, C-87, EX-A5670, (E/Z) C87
| Molecular Formula | C24H15ClN6O3S |
|---|---|
| Molecular Weight | 502.06 g/mol |
| LogP | 6.9331 |
| Topological Polar Surface Area | 118.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.0615 |
| Heavy Atoms | 35 |
| Complexity | 1609.5446 |
Chemical Identifiers
| CAS Number | 1609281-56-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CSC(=N2)N3C(=O)C(=C(N3)C4=CC=CC=C4)N=NC5=CC(=C(C=C5)Cl)[N+](=O)[O-] |
Product Overview
TNFalpha-IN-C87 (CAS 1609281-56-2), with molecular formula C24H15ClN6O3S and molecular weight 502.06 g/mol. IUPAC: 4-[(4-chloro-3-nitrophenyl)diazenyl]-5-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one.
Chemical Property Profile of TNFalpha-IN-C87
Property Insights of TNFalpha-IN-C87
The XLogP value of 6.9331 indicates that TNFalpha-IN-C87 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.54 Ų falls within the moderate polarity range, balancing permeability and solubility for TNFalpha-IN-C87. Following Lipinski's Rule of Five, TNFalpha-IN-C87 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of TNFalpha-IN-C87?
The CAS number of TNFalpha-IN-C87 is 1609281-56-2.
What is the molecular formula of TNFalpha-IN-C87?
The molecular formula of TNFalpha-IN-C87 is C24H15ClN6O3S.
What is the molecular weight of TNFalpha-IN-C87?
The molecular weight of TNFalpha-IN-C87 is 502.06 g/mol.
Where can I buy TNFalpha-IN-C87?
You can request a quote for TNFalpha-IN-C87 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TNFalpha-IN-C87?
Yes, KEHONG BIO provides custom synthesis services for TNFalpha-IN-C87 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.