EINECS 302-418-1
TL;DR: EINECS 302-418-1 (CAS 94108-81-3) is a chemical compound with molecular formula C18H19N5O4S and molecular weight 401.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(2-methoxy-4-methylphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonamide
Also Known As: EINECS 302-418-1, 3-(4,5-Dihydro-4-((2-methoxy-p-tolyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonamide, 3-[4,5-Dihydro-4-[2-(2-methoxy-4-methylphenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonamide, 3-(4,5-Dihydro-4-(2-(2-methoxy-4-methylphenyl)diazenyl)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulfonamide, 3-[[4,5-Dihydro-4-[(2-methoxy-4-methylphenyl)azo]-3-methyl-5-oxo-1H-pyrazol]-1-yl]benzenesulfonamide
| Molecular Formula | C18H19N5O4S |
|---|---|
| Molecular Weight | 401.12 g/mol |
| LogP | 2.52602 |
| Topological Polar Surface Area | 126.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.11578 |
| Heavy Atoms | 28 |
| Complexity | 1094.9049 |
Chemical Identifiers
| CAS Number | 94108-81-3 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N=NC2C(=NN(C2=O)C3=CC(=CC=C3)S(=O)(=O)N)C)OC |
Product Overview
EINECS 302-418-1 (CAS 94108-81-3), with molecular formula C18H19N5O4S and molecular weight 401.12 g/mol. IUPAC: 3-[4-[(2-methoxy-4-methylphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonamide.
Chemical Property Profile of EINECS 302-418-1
Property Insights of EINECS 302-418-1
The XLogP value of 2.52602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 302-418-1. The TPSA of 126.78 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 302-418-1. Following Lipinski's Rule of Five, EINECS 302-418-1 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 302-418-1?
The CAS number of EINECS 302-418-1 is 94108-81-3.
What is the molecular formula of EINECS 302-418-1?
The molecular formula of EINECS 302-418-1 is C18H19N5O4S.
What is the molecular weight of EINECS 302-418-1?
The molecular weight of EINECS 302-418-1 is 401.12 g/mol.
Where can I buy EINECS 302-418-1?
You can request a quote for EINECS 302-418-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 302-418-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 302-418-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.