Bis(2-chloroethyl) 4-chlorobenzene-1,3-disulfonate
TL;DR: Bis(2-chloroethyl) 4-chlorobenzene-1,3-disulfonate (CAS 619-93-2) is a chemical compound with molecular formula C10H11Cl3O6S2 and molecular weight 395.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-chloroethyl) 4-chlorobenzene-1,3-disulfonate
Also Known As: 1-Chlorbenzol-2.4-disulfonsaeure, bis(2-chloroethyl) 4-chlorobenzene-1,3-disulfonate, 4-Chlor-benzol-1,3-disulfonsaeure-bis-(2-chlor-aethylester)
| Molecular Formula | C10H11Cl3O6S2 |
|---|---|
| Molecular Weight | 395.91 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 395.90625 |
| Heavy Atoms | 21 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 619-93-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)OCCCl)S(=O)(=O)OCCCl)Cl |
| InChIKey | JHNYGXYZYKRKOP-UHFFFAOYSA-N |
Product Overview
Bis(2-chloroethyl) 4-chlorobenzene-1,3-disulfonate (CAS 619-93-2), with molecular formula C10H11Cl3O6S2 and molecular weight 395.91 g/mol. IUPAC: bis(2-chloroethyl) 4-chlorobenzene-1,3-disulfonate.
Chemical Property Profile of Bis(2-chloroethyl) 4-chlorobenzene-1,3-disulfonate
Property Insights of Bis(2-chloroethyl) 4-chlorobenzene-1,3-disulfonate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2-chloroethyl) 4-chlorobenzene-1,3-disulfonate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(2-chloroethyl) 4-chlorobenzene-1,3-disulfonate. Following Lipinski's Rule of Five, Bis(2-chloroethyl) 4-chlorobenzene-1,3-disulfonate 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 Bis(2-chloroethyl) 4-chlorobenzene-1,3-disulfonate?
The CAS number of Bis(2-chloroethyl) 4-chlorobenzene-1,3-disulfonate is 619-93-2.
What is the molecular formula of Bis(2-chloroethyl) 4-chlorobenzene-1,3-disulfonate?
The molecular formula of Bis(2-chloroethyl) 4-chlorobenzene-1,3-disulfonate is C10H11Cl3O6S2.
What is the molecular weight of Bis(2-chloroethyl) 4-chlorobenzene-1,3-disulfonate?
The molecular weight of Bis(2-chloroethyl) 4-chlorobenzene-1,3-disulfonate is 395.91 g/mol.
Where can I buy Bis(2-chloroethyl) 4-chlorobenzene-1,3-disulfonate?
You can request a quote for Bis(2-chloroethyl) 4-chlorobenzene-1,3-disulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-chloroethyl) 4-chlorobenzene-1,3-disulfonate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-chloroethyl) 4-chlorobenzene-1,3-disulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.