2-Chloroethyl 3,4-dichlorobenzenesulfonate
TL;DR: 2-Chloroethyl 3,4-dichlorobenzenesulfonate (CAS 61990-51-0) is a chemical compound with molecular formula C8H7Cl3O3S and molecular weight 287.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 3,4-dichlorobenzenesulfonate
Also Known As: 2-chloroethyl 3,4-dichlorobenzenesulfonate, 2-Chloroethyl 3,4-dichlorobenzene-1-sulfonate, monochloroacetaldehyde diethylenechlorohydrin acetal, Benzenesulfonic acid,3,4-dichloro-, 2-chloroethyl ester, BENZOIc acid, 4-(ACETYLAMINO)-,COMPD.WITH1-(DIMETHYLAMINO)-2-PROPANOL
| Molecular Formula | C8H7Cl3O3S |
|---|---|
| Molecular Weight | 287.92 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 287.91815 |
| Heavy Atoms | 15 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 61990-51-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)OCCCl)Cl)Cl |
| InChIKey | MPIPDBAJZFPTNT-UHFFFAOYSA-N |
Product Overview
2-Chloroethyl 3,4-dichlorobenzenesulfonate (CAS 61990-51-0), with molecular formula C8H7Cl3O3S and molecular weight 287.92 g/mol. IUPAC: 2-chloroethyl 3,4-dichlorobenzenesulfonate.
Chemical Property Profile of 2-Chloroethyl 3,4-dichlorobenzenesulfonate
Property Insights of 2-Chloroethyl 3,4-dichlorobenzenesulfonate
The XLogP value of 3.1 indicates that 2-Chloroethyl 3,4-dichlorobenzenesulfonate 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 3,4-dichlorobenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl 3,4-dichlorobenzenesulfonate 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 3,4-dichlorobenzenesulfonate?
The CAS number of 2-Chloroethyl 3,4-dichlorobenzenesulfonate is 61990-51-0.
What is the molecular formula of 2-Chloroethyl 3,4-dichlorobenzenesulfonate?
The molecular formula of 2-Chloroethyl 3,4-dichlorobenzenesulfonate is C8H7Cl3O3S.
What is the molecular weight of 2-Chloroethyl 3,4-dichlorobenzenesulfonate?
The molecular weight of 2-Chloroethyl 3,4-dichlorobenzenesulfonate is 287.92 g/mol.
Where can I buy 2-Chloroethyl 3,4-dichlorobenzenesulfonate?
You can request a quote for 2-Chloroethyl 3,4-dichlorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl 3,4-dichlorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl 3,4-dichlorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.