2-Chloroethyl 2,3,4,5,6-pentachlorobenzene-1-sulfonate
TL;DR: 2-Chloroethyl 2,3,4,5,6-pentachlorobenzene-1-sulfonate (CAS 85650-13-1) is a chemical compound with molecular formula C8H4Cl6O3S and molecular weight 389.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 2,3,4,5,6-pentachlorobenzenesulfonate
Also Known As: 2-Chloroethyl 2,3,4,5,6-pentachlorobenzene-1-sulfonate, 2-chloroethyl 2,3,4,5,6-pentachlorobenzenesulfonate
| Molecular Formula | C8H4Cl6O3S |
|---|---|
| Molecular Weight | 389.80 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.80124 |
| Heavy Atoms | 18 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 85650-13-1 |
|---|---|
| SMILES | C(CCl)OS(=O)(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl |
| InChIKey | JLLONYIVVFQZQW-UHFFFAOYSA-N |
Product Overview
2-Chloroethyl 2,3,4,5,6-pentachlorobenzene-1-sulfonate (CAS 85650-13-1), with molecular formula C8H4Cl6O3S and molecular weight 389.80 g/mol. IUPAC: 2-chloroethyl 2,3,4,5,6-pentachlorobenzenesulfonate.
Chemical Property Profile of 2-Chloroethyl 2,3,4,5,6-pentachlorobenzene-1-sulfonate
Property Insights of 2-Chloroethyl 2,3,4,5,6-pentachlorobenzene-1-sulfonate
The XLogP value of 4.9 indicates that 2-Chloroethyl 2,3,4,5,6-pentachlorobenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 2-Chloroethyl 2,3,4,5,6-pentachlorobenzene-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl 2,3,4,5,6-pentachlorobenzene-1-sulfonate has 0 hydrogen bond donor(s) and 3 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 2-Chloroethyl 2,3,4,5,6-pentachlorobenzene-1-sulfonate?
The CAS number of 2-Chloroethyl 2,3,4,5,6-pentachlorobenzene-1-sulfonate is 85650-13-1.
What is the molecular formula of 2-Chloroethyl 2,3,4,5,6-pentachlorobenzene-1-sulfonate?
The molecular formula of 2-Chloroethyl 2,3,4,5,6-pentachlorobenzene-1-sulfonate is C8H4Cl6O3S.
What is the molecular weight of 2-Chloroethyl 2,3,4,5,6-pentachlorobenzene-1-sulfonate?
The molecular weight of 2-Chloroethyl 2,3,4,5,6-pentachlorobenzene-1-sulfonate is 389.80 g/mol.
Where can I buy 2-Chloroethyl 2,3,4,5,6-pentachlorobenzene-1-sulfonate?
You can request a quote for 2-Chloroethyl 2,3,4,5,6-pentachlorobenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl 2,3,4,5,6-pentachlorobenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl 2,3,4,5,6-pentachlorobenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.