Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonate
TL;DR: Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonate (CAS 85136-03-4) is a chemical compound with molecular formula C12H6Cl2NNaO6S and molecular weight 384.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulfonate
Also Known As: EINECS 285-725-2, sodium5-chloro-2- benzenesulphonate, Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonate, sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulfonate, sodium,5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulfonate
| Molecular Formula | C12H6Cl2NNaO6S |
|---|---|
| Molecular Weight | 384.92 g/mol |
| LogP | 0.602 |
| Topological Polar Surface Area | 109.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.91907 |
| Heavy Atoms | 23 |
| Complexity | 858.6246 |
Chemical Identifiers
| CAS Number | 85136-03-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)[N+](=O)[O-])OC2=C(C=C(C=C2)Cl)S(=O)(=O)[O-].[Na+] |
Product Overview
Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonate (CAS 85136-03-4), with molecular formula C12H6Cl2NNaO6S and molecular weight 384.92 g/mol. IUPAC: sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulfonate.
Chemical Property Profile of Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonate
Property Insights of Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonate
The XLogP value of 0.602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonate. The TPSA of 109.57 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonate. Following Lipinski's Rule of Five, Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonate has 0 hydrogen bond donor(s) and 6 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 Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonate?
The CAS number of Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonate is 85136-03-4.
What is the molecular formula of Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonate?
The molecular formula of Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonate is C12H6Cl2NNaO6S.
What is the molecular weight of Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonate?
The molecular weight of Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonate is 384.92 g/mol.
Where can I buy Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonate?
You can request a quote for Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for Sodium 5-chloro-2-(4-chloro-2-nitrophenoxy)benzenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.