EINECS 219-899-8
TL;DR: EINECS 219-899-8 (CAS 2566-86-1) is a chemical compound with molecular formula C34H49N3O5S2 and molecular weight 643.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-(2-octadecylsulfanylphenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]benzenesulfonic acid
Also Known As: o-(((4,5-Dihydro-1-(2-(octadecylthio)phenyl)-5-oxo-1H-pyrazol-3-yl)amino)carbonyl)benzenesulphonic acid, 2-[[1-(2-octadecylsulfanylphenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]benzenesulfonic acid, 2-({1-[2-(octadecylsulfanyl)phenyl]-5-oxo-4,5-dihydro-1H-pyrazol-3-yl}carbamoyl)benzene-1-sulfonic acid, 2-({1-[2-(octadecylsulfanyl)phenyl]-5-oxo-4,5-dihydro-1h-pyrazol-3-yl}carbamoyl)benzenesulfonic acid, 2-[[[4,5-Dihydro-1-[2-(octadecylthio)phenyl]-5-oxo-1H-pyrazol-3-yl]amino]carbonyl]benzenesulfonic acid
| Molecular Formula | C34H49N3O5S2 |
|---|---|
| Molecular Weight | 643.31 g/mol |
| LogP | 10.3 |
| Topological Polar Surface Area | 150.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 22 |
| Exact Mass | 643.31134 |
| Heavy Atoms | 44 |
| Complexity | 984.0 |
Chemical Identifiers
| CAS Number | 2566-86-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCSC1=CC=CC=C1N2C(=O)CC(=N2)NC(=O)C3=CC=CC=C3S(=O)(=O)O |
| InChIKey | XRURHQQYUBFGFD-UHFFFAOYSA-N |
Product Overview
EINECS 219-899-8 (CAS 2566-86-1), with molecular formula C34H49N3O5S2 and molecular weight 643.31 g/mol. IUPAC: 2-[[1-(2-octadecylsulfanylphenyl)-5-oxo-4H-pyrazol-3-yl]carbamoyl]benzenesulfonic acid.
Chemical Property Profile of EINECS 219-899-8
Property Insights of EINECS 219-899-8
The XLogP value of 10.3 indicates that EINECS 219-899-8 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting EINECS 219-899-8 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 219-899-8 has 2 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 EINECS 219-899-8?
The CAS number of EINECS 219-899-8 is 2566-86-1.
What is the molecular formula of EINECS 219-899-8?
The molecular formula of EINECS 219-899-8 is C34H49N3O5S2.
What is the molecular weight of EINECS 219-899-8?
The molecular weight of EINECS 219-899-8 is 643.31 g/mol.
Where can I buy EINECS 219-899-8?
You can request a quote for EINECS 219-899-8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 219-899-8?
Yes, KEHONG BIO provides custom synthesis services for EINECS 219-899-8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.