Propane-1,3-diyl bis(4-nitrobenzene-1-sulfonate)
TL;DR: Propane-1,3-diyl bis(4-nitrobenzene-1-sulfonate) (CAS 25784-85-4) is a chemical compound with molecular formula C15H14N2O10S2 and molecular weight 446.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)sulfonyloxypropyl 4-nitrobenzenesulfonate
Also Known As: propane-1,3-diyl bis(4-nitrobenzenesulfonate), Propane-1,3-diyl bis(4-nitrobenzene-1-sulfonate), Benzenesulfonic acid, 4-nitro-, 1,3-propanediyl ester, 3-(4-nitrophenyl)sulfonyloxypropyl 4-nitrobenzenesulfonate
| Molecular Formula | C15H14N2O10S2 |
|---|---|
| Molecular Weight | 446.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.00897 |
| Heavy Atoms | 29 |
| Complexity | 694.0 |
Chemical Identifiers
| CAS Number | 25784-85-4 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)OCCCOS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | FZAWXVRAAXEYGI-UHFFFAOYSA-N |
Product Overview
Propane-1,3-diyl bis(4-nitrobenzene-1-sulfonate) (CAS 25784-85-4), with molecular formula C15H14N2O10S2 and molecular weight 446.01 g/mol. IUPAC: 3-(4-nitrophenyl)sulfonyloxypropyl 4-nitrobenzenesulfonate.
Chemical Property Profile of Propane-1,3-diyl bis(4-nitrobenzene-1-sulfonate)
Property Insights of Propane-1,3-diyl bis(4-nitrobenzene-1-sulfonate)
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propane-1,3-diyl bis(4-nitrobenzene-1-sulfonate). The TPSA of 195.0 Ų indicates high polarity, suggesting Propane-1,3-diyl bis(4-nitrobenzene-1-sulfonate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propane-1,3-diyl bis(4-nitrobenzene-1-sulfonate) 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 Propane-1,3-diyl bis(4-nitrobenzene-1-sulfonate)?
The CAS number of Propane-1,3-diyl bis(4-nitrobenzene-1-sulfonate) is 25784-85-4.
What is the molecular formula of Propane-1,3-diyl bis(4-nitrobenzene-1-sulfonate)?
The molecular formula of Propane-1,3-diyl bis(4-nitrobenzene-1-sulfonate) is C15H14N2O10S2.
What is the molecular weight of Propane-1,3-diyl bis(4-nitrobenzene-1-sulfonate)?
The molecular weight of Propane-1,3-diyl bis(4-nitrobenzene-1-sulfonate) is 446.01 g/mol.
Where can I buy Propane-1,3-diyl bis(4-nitrobenzene-1-sulfonate)?
You can request a quote for Propane-1,3-diyl bis(4-nitrobenzene-1-sulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propane-1,3-diyl bis(4-nitrobenzene-1-sulfonate)?
Yes, KEHONG BIO provides custom synthesis services for Propane-1,3-diyl bis(4-nitrobenzene-1-sulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.