EINECS 301-433-0
TL;DR: EINECS 301-433-0 (CAS 94021-38-2) is a chemical compound with molecular formula C22H15Cl3N4O5S and molecular weight 551.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[4-[[5-chloro-2-(2-chlorophenoxy)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
Also Known As: 4-Chloro-3-(4-((5-chloro-2-(2-chlorophenoxy)phenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid, 4-chloro-3-[4-[[5-chloro-2-(2-chlorophenoxy)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid, 4-chloro-3-(4-{2-[5-chloro-2-(2-chlorophenoxy)phenyl]diazen-1-yl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid, 4-Chloro-3-[[4-[[5-chloro-2-(2-chlorophenoxy)phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol]-1-yl]benzenesulfonic acid, 4-chloro-3-[4-[[5-chloro-2- phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonicacid
| Molecular Formula | C22H15Cl3N4O5S |
|---|---|
| Molecular Weight | 551.98 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 551.98285 |
| Heavy Atoms | 35 |
| Complexity | 946.0 |
Chemical Identifiers
| CAS Number | 94021-38-2 |
|---|---|
| SMILES | CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)Cl)OC3=CC=CC=C3Cl)C4=C(C=CC(=C4)S(=O)(=O)O)Cl |
| InChIKey | KBKLKHJKTXJHPE-UHFFFAOYSA-N |
Product Overview
EINECS 301-433-0 (CAS 94021-38-2), with molecular formula C22H15Cl3N4O5S and molecular weight 551.98 g/mol. IUPAC: 4-chloro-3-[4-[[5-chloro-2-(2-chlorophenoxy)phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid.
Chemical Property Profile of EINECS 301-433-0
Property Insights of EINECS 301-433-0
The XLogP value of 5.5 indicates that EINECS 301-433-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 301-433-0. Following Lipinski's Rule of Five, EINECS 301-433-0 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 301-433-0?
The CAS number of EINECS 301-433-0 is 94021-38-2.
What is the molecular formula of EINECS 301-433-0?
The molecular formula of EINECS 301-433-0 is C22H15Cl3N4O5S.
What is the molecular weight of EINECS 301-433-0?
The molecular weight of EINECS 301-433-0 is 551.98 g/mol.
Where can I buy EINECS 301-433-0?
You can request a quote for EINECS 301-433-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 301-433-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 301-433-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.