4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2,5-dichlorobenzenesulfonate
TL;DR: 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2,5-dichlorobenzenesulfonate (CAS 298216-06-5) is a chemical compound with molecular formula C16H13Cl2NO6S3 and molecular weight 480.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl] 2,5-dichlorobenzenesulfonate
Also Known As: 4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2,5-dichlorobenzenesulfonate, AA-768/33245025, [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl] 2,5-dichlorobenzenesulfonate, 4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2,5-dichlorobenzene-1-sulfonate, 2-[4-(2,5-dichlorophenyl)sulfonyloxy-3-methoxy-5-nitro-phenyl]-1,3-dithiolane
| Molecular Formula | C16H13Cl2NO6S3 |
|---|---|
| Molecular Weight | 480.93 g/mol |
| LogP | 5.1565 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.9282 |
| Heavy Atoms | 28 |
| Complexity | 1025.2799 |
Chemical Identifiers
| CAS Number | 298216-06-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-])C3SCCS3 |
Product Overview
4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2,5-dichlorobenzenesulfonate (CAS 298216-06-5), with molecular formula C16H13Cl2NO6S3 and molecular weight 480.93 g/mol. IUPAC: [4-(1,3-dithiolan-2-yl)-2-methoxy-6-nitrophenyl] 2,5-dichlorobenzenesulfonate.
Chemical Property Profile of 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2,5-dichlorobenzenesulfonate
Property Insights of 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2,5-dichlorobenzenesulfonate
The XLogP value of 5.1565 indicates that 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2,5-dichlorobenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2,5-dichlorobenzenesulfonate. Following Lipinski's Rule of Five, 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2,5-dichlorobenzenesulfonate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2,5-dichlorobenzenesulfonate?
The CAS number of 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2,5-dichlorobenzenesulfonate is 298216-06-5.
What is the molecular formula of 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2,5-dichlorobenzenesulfonate?
The molecular formula of 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2,5-dichlorobenzenesulfonate is C16H13Cl2NO6S3.
What is the molecular weight of 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2,5-dichlorobenzenesulfonate?
The molecular weight of 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2,5-dichlorobenzenesulfonate is 480.93 g/mol.
Where can I buy 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2,5-dichlorobenzenesulfonate?
You can request a quote for 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2,5-dichlorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2,5-dichlorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-Dithiolan-2-yl)-2-methoxy-6-nitrophenyl 2,5-dichlorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.