EINECS 262-169-9
TL;DR: EINECS 262-169-9 (CAS 60317-14-8) is a chemical compound with molecular formula C22H31ClN4O6S2 and molecular weight 546.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylamino]propyl-trimethylazanium;methyl sulfate
Also Known As: EINECS 262-169-9, 3-(((4-(3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)phenyl)sulphonyl)amino)propyltrimethylammonium methyl sulphate, 3-[[[4-[3- -4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]amino]propyltrimethylammoniummethylsulphate, 3-[[[4-[3-(4-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-1-YL]PHENYL]SULFONYL]AMINO]PROPYLTRIMETHYLAMMONIUM METHYL SULFATE, 3-[[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]amino]propyltrimethylammonium methyl sulphate
| Molecular Formula | C22H31ClN4O6S2 |
|---|---|
| Molecular Weight | 546.14 g/mol |
| LogP | 2.422 |
| Topological Polar Surface Area | 128.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 546.1373 |
| Heavy Atoms | 35 |
| Complexity | 1210.0874 |
Chemical Identifiers
| CAS Number | 60317-14-8 |
|---|---|
| SMILES | C[N+](C)(C)CCCNS(=O)(=O)C1=CC=C(C=C1)N2CCC(=N2)C3=CC=C(C=C3)Cl.COS(=O)(=O)[O-] |
Product Overview
EINECS 262-169-9 (CAS 60317-14-8), with molecular formula C22H31ClN4O6S2 and molecular weight 546.14 g/mol. IUPAC: 3-[[4-[5-(4-chlorophenyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylamino]propyl-trimethylazanium;methyl sulfate.
Chemical Property Profile of EINECS 262-169-9
Property Insights of EINECS 262-169-9
The XLogP value of 2.422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 262-169-9. The TPSA of 128.2 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 262-169-9. Following Lipinski's Rule of Five, EINECS 262-169-9 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 262-169-9?
The CAS number of EINECS 262-169-9 is 60317-14-8.
What is the molecular formula of EINECS 262-169-9?
The molecular formula of EINECS 262-169-9 is C22H31ClN4O6S2.
What is the molecular weight of EINECS 262-169-9?
The molecular weight of EINECS 262-169-9 is 546.14 g/mol.
Where can I buy EINECS 262-169-9?
You can request a quote for EINECS 262-169-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 262-169-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 262-169-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.