EINECS 265-319-1
TL;DR: EINECS 265-319-1 (CAS 67116-20-5) is a chemical compound with molecular formula C19H18ClN3O4S and molecular weight 419.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid
Also Known As: EINECS 265-319-1, 4-Chloro-3-(4-(4-(dimethylamino)benzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid, 4-chloro-3-(4-{[4-(dimethylamino)phenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonic acid, 4-chloro-3-{4-[4-(dimethylamino)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl}benzenesulfonic acid, Benzenesulfonic acid, 4-chloro-3-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-
| Molecular Formula | C19H18ClN3O4S |
|---|---|
| Molecular Weight | 419.07 g/mol |
| LogP | 3.4588 |
| Topological Polar Surface Area | 90.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.07065 |
| Heavy Atoms | 28 |
| Complexity | 1106.4987 |
Chemical Identifiers
| CAS Number | 67116-20-5 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)N(C)C)C3=C(C=CC(=C3)S(=O)(=O)O)Cl |
Product Overview
EINECS 265-319-1 (CAS 67116-20-5), with molecular formula C19H18ClN3O4S and molecular weight 419.07 g/mol. IUPAC: 4-chloro-3-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonic acid.
Chemical Property Profile of EINECS 265-319-1
Property Insights of EINECS 265-319-1
The XLogP value of 3.4588 indicates that EINECS 265-319-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.28 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 265-319-1. Following Lipinski's Rule of Five, EINECS 265-319-1 has 1 hydrogen bond donor(s) and 5 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 265-319-1?
The CAS number of EINECS 265-319-1 is 67116-20-5.
What is the molecular formula of EINECS 265-319-1?
The molecular formula of EINECS 265-319-1 is C19H18ClN3O4S.
What is the molecular weight of EINECS 265-319-1?
The molecular weight of EINECS 265-319-1 is 419.07 g/mol.
Where can I buy EINECS 265-319-1?
You can request a quote for EINECS 265-319-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 265-319-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 265-319-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.