1,3-Phenylene bis(4-nitrophenylsulfonate)
TL;DR: 1,3-Phenylene bis(4-nitrophenylsulfonate) (CAS 352636-90-9) is a chemical compound with molecular formula C18H12N2O10S2 and molecular weight 479.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-nitrophenyl)sulfonyloxyphenyl] 4-nitrobenzenesulfonate
Also Known As: 1,3-Phenylene bis(4-nitrophenylsulfonate), 1,3-phenylene bis(4-nitrobenzenesulfonate), [3-(4-nitrophenyl)sulfonyloxyphenyl] 4-nitrobenzenesulfonate, 3-[({4-nitrophenyl}sulfonyl)oxy]phenyl 4-nitrobenzenesulfonate, 3-([(4-Nitrophenyl)sulfonyl]oxy)phenyl 4-nitrobenzenesulfonate #
| Molecular Formula | C18H12N2O10S2 |
|---|---|
| Molecular Weight | 479.99 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 479.99335 |
| Heavy Atoms | 32 |
| Complexity | 797.0 |
Chemical Identifiers
| CAS Number | 352636-90-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | HZTYISBOMUWSCH-UHFFFAOYSA-N |
Product Overview
1,3-Phenylene bis(4-nitrophenylsulfonate) (CAS 352636-90-9), with molecular formula C18H12N2O10S2 and molecular weight 479.99 g/mol. IUPAC: [3-(4-nitrophenyl)sulfonyloxyphenyl] 4-nitrobenzenesulfonate.
Chemical Property Profile of 1,3-Phenylene bis(4-nitrophenylsulfonate)
Property Insights of 1,3-Phenylene bis(4-nitrophenylsulfonate)
The XLogP value of 3.8 indicates that 1,3-Phenylene bis(4-nitrophenylsulfonate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 195.0 Ų indicates high polarity, suggesting 1,3-Phenylene bis(4-nitrophenylsulfonate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3-Phenylene bis(4-nitrophenylsulfonate) has 0 hydrogen bond donor(s) and 10 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 1,3-Phenylene bis(4-nitrophenylsulfonate)?
The CAS number of 1,3-Phenylene bis(4-nitrophenylsulfonate) is 352636-90-9.
What is the molecular formula of 1,3-Phenylene bis(4-nitrophenylsulfonate)?
The molecular formula of 1,3-Phenylene bis(4-nitrophenylsulfonate) is C18H12N2O10S2.
What is the molecular weight of 1,3-Phenylene bis(4-nitrophenylsulfonate)?
The molecular weight of 1,3-Phenylene bis(4-nitrophenylsulfonate) is 479.99 g/mol.
Where can I buy 1,3-Phenylene bis(4-nitrophenylsulfonate)?
You can request a quote for 1,3-Phenylene bis(4-nitrophenylsulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Phenylene bis(4-nitrophenylsulfonate)?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Phenylene bis(4-nitrophenylsulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.