m-Chlorphenylisopropylsulfid
TL;DR: m-Chlorphenylisopropylsulfid (CAS 55698-26-5) is a chemical compound with molecular formula C37H30N6Na2O10S3 and molecular weight 860.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;3-methyl-5-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]-2-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate
Also Known As: m-Chlorphenylisopropylsulfid, EINECS 259-763-5, Disodium 4-((4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl)azo)-3',5-dimethyl-4'-((4-(((4-methylphenyl)sulphonyl)oxy)phenyl)azo)(1,1'-biphenyl)-3-sulphonate, [1,1'-Biphenyl]-3-sulfonic acid, 4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo]-3',5-dimethyl-4'-[[4-[[(4-methylphenyl)sulfophenyl]oxy]phenyl]azo]-, disodium salt, [1,1'-Biphenyl]-3-sulfonicacid,4-[2-[4,5-dihydro-3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4-yl]diazenyl]-3',5-dimethyl-4'-[2-[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl]-,sodium salt (1:2)
| Molecular Formula | C37H30N6Na2O10S3 |
|---|---|
| Molecular Weight | 860.10 g/mol |
| LogP | 1.15316 |
| Topological Polar Surface Area | 239.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 11 |
| Exact Mass | 860.0981 |
| Heavy Atoms | 58 |
| Complexity | 2802.1602 |
Chemical Identifiers
| CAS Number | 55698-26-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)C4=CC(=C(C(=C4)C)N=NC5C(=NN(C5=O)C6=CC=C(C=C6)S(=O)(=O)[O-])C)S(=O)(=O)[O-])C.[Na+].[Na+] |
Product Overview
m-Chlorphenylisopropylsulfid (CAS 55698-26-5), with molecular formula C37H30N6Na2O10S3 and molecular weight 860.10 g/mol. IUPAC: disodium;3-methyl-5-[3-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]-2-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzenesulfonate.
Chemical Property Profile of m-Chlorphenylisopropylsulfid
Property Insights of m-Chlorphenylisopropylsulfid
The XLogP value of 1.15316 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Chlorphenylisopropylsulfid. The TPSA of 239.88 Ų indicates high polarity, suggesting m-Chlorphenylisopropylsulfid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, m-Chlorphenylisopropylsulfid has 0 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of m-Chlorphenylisopropylsulfid?
The CAS number of m-Chlorphenylisopropylsulfid is 55698-26-5.
What is the molecular formula of m-Chlorphenylisopropylsulfid?
The molecular formula of m-Chlorphenylisopropylsulfid is C37H30N6Na2O10S3.
What is the molecular weight of m-Chlorphenylisopropylsulfid?
The molecular weight of m-Chlorphenylisopropylsulfid is 860.10 g/mol.
Where can I buy m-Chlorphenylisopropylsulfid?
You can request a quote for m-Chlorphenylisopropylsulfid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Chlorphenylisopropylsulfid?
Yes, KEHONG BIO provides custom synthesis services for m-Chlorphenylisopropylsulfid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.