EINECS 267-819-5
TL;DR: EINECS 267-819-5 (CAS 67936-18-9) is a chemical compound with molecular formula C22H30ClN3O6S2 and molecular weight 531.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylpropan-2-yl-trimethylazanium;methyl sulfate
Also Known As: EINECS 267-819-5, (1-((4-(3-(p-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)-1-methylethyl)trimethylammonium methyl sulphate, [1-[[4-[3- -4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]-1-methylethyl]trimethylammoniummethylsulphate, [1-[[4-[3-(p-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]-1-methylethyl]trimethylammonium methyl sulphate, 2-[4-[3-(4-chlorophenyl)-4,5-dihydropyrazol-1-yl]phenyl]sulfonylpropan-2-yl-trimethyl-azanium; sulfonatooxymethane
| Molecular Formula | C22H30ClN3O6S2 |
|---|---|
| Molecular Weight | 531.13 g/mol |
| LogP | 3.2634 |
| Topological Polar Surface Area | 116.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 531.12646 |
| Heavy Atoms | 34 |
| Complexity | 1235.0403 |
Chemical Identifiers
| CAS Number | 67936-18-9 |
|---|---|
| SMILES | CC(C)([N+](C)(C)C)S(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl.COS(=O)(=O)[O-] |
Product Overview
EINECS 267-819-5 (CAS 67936-18-9), with molecular formula C22H30ClN3O6S2 and molecular weight 531.13 g/mol. IUPAC: 2-[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylpropan-2-yl-trimethylazanium;methyl sulfate.
Chemical Property Profile of EINECS 267-819-5
Property Insights of EINECS 267-819-5
The XLogP value of 3.2634 indicates that EINECS 267-819-5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.17 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 267-819-5. Following Lipinski's Rule of Five, EINECS 267-819-5 has 0 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 267-819-5?
The CAS number of EINECS 267-819-5 is 67936-18-9.
What is the molecular formula of EINECS 267-819-5?
The molecular formula of EINECS 267-819-5 is C22H30ClN3O6S2.
What is the molecular weight of EINECS 267-819-5?
The molecular weight of EINECS 267-819-5 is 531.13 g/mol.
Where can I buy EINECS 267-819-5?
You can request a quote for EINECS 267-819-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 267-819-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 267-819-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.