1,4-Bis(2-chloro-5-nitrobenzenesulfonyl)-1,4-diazepane
TL;DR: 1,4-Bis(2-chloro-5-nitrobenzenesulfonyl)-1,4-diazepane (CAS 447410-60-8) is a chemical compound with molecular formula C17H16Cl2N4O8S2 and molecular weight 537.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-bis[(2-chloro-5-nitrophenyl)sulfonyl]-1,4-diazepane
Also Known As: ChemDiv1_023586, SDCCGSBI-0659422.P001, 1,4-BIS(2-CHLORO-5-NITROBENZENESULFONYL)-1,4-DIAZEPANE, 1,4-bis((2-chloro-5-nitrophenyl)sulfonyl)-1,4-diazepane, 1,4-bis[(2-chloro-5-nitrophenyl)sulfonyl]-1,4-diazepane
| Molecular Formula | C17H16Cl2N4O8S2 |
|---|---|
| Molecular Weight | 537.98 g/mol |
| LogP | 2.8951 |
| Topological Polar Surface Area | 161.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 537.97864 |
| Heavy Atoms | 33 |
| Complexity | 1233.022 |
Chemical Identifiers
| CAS Number | 447410-60-8 |
|---|---|
| SMILES | C1CN(CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl |
Product Overview
1,4-Bis(2-chloro-5-nitrobenzenesulfonyl)-1,4-diazepane (CAS 447410-60-8), with molecular formula C17H16Cl2N4O8S2 and molecular weight 537.98 g/mol. IUPAC: 1,4-bis[(2-chloro-5-nitrophenyl)sulfonyl]-1,4-diazepane.
Chemical Property Profile of 1,4-Bis(2-chloro-5-nitrobenzenesulfonyl)-1,4-diazepane
Property Insights of 1,4-Bis(2-chloro-5-nitrobenzenesulfonyl)-1,4-diazepane
The XLogP value of 2.8951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Bis(2-chloro-5-nitrobenzenesulfonyl)-1,4-diazepane. The TPSA of 161.04 Ų indicates high polarity, suggesting 1,4-Bis(2-chloro-5-nitrobenzenesulfonyl)-1,4-diazepane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Bis(2-chloro-5-nitrobenzenesulfonyl)-1,4-diazepane 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 1,4-Bis(2-chloro-5-nitrobenzenesulfonyl)-1,4-diazepane?
The CAS number of 1,4-Bis(2-chloro-5-nitrobenzenesulfonyl)-1,4-diazepane is 447410-60-8.
What is the molecular formula of 1,4-Bis(2-chloro-5-nitrobenzenesulfonyl)-1,4-diazepane?
The molecular formula of 1,4-Bis(2-chloro-5-nitrobenzenesulfonyl)-1,4-diazepane is C17H16Cl2N4O8S2.
What is the molecular weight of 1,4-Bis(2-chloro-5-nitrobenzenesulfonyl)-1,4-diazepane?
The molecular weight of 1,4-Bis(2-chloro-5-nitrobenzenesulfonyl)-1,4-diazepane is 537.98 g/mol.
Where can I buy 1,4-Bis(2-chloro-5-nitrobenzenesulfonyl)-1,4-diazepane?
You can request a quote for 1,4-Bis(2-chloro-5-nitrobenzenesulfonyl)-1,4-diazepane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Bis(2-chloro-5-nitrobenzenesulfonyl)-1,4-diazepane?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Bis(2-chloro-5-nitrobenzenesulfonyl)-1,4-diazepane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.